data_2dn8_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2dn8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mt -116.98 87.6 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -81.97 164.47 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.3 t -84.0 120.64 75.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.06 150.23 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.78 172.93 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.28 -134.5 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 109.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.53 137.68 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 p -118.06 -66.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -161.77 -176.79 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -114.67 166.53 11.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -113.96 6.29 16.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 m -137.41 153.75 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.93 178.34 7.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.02 138.42 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.64 37.24 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.568 1.167 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.15 136.09 40.18 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.9 t60 -96.96 136.12 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -142.05 -176.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -103.26 156.37 17.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.51 98.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.58 -26.91 3.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.151 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.24 160.45 18.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 0.742 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -92.85 132.93 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.581 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -115.15 -17.12 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.4 178.4 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.0 -178.9 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -163.82 165.72 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 111.019 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CG ' HD13 ' A' ' 54' ' ' ILE . 20.3 tt0 -123.6 117.19 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.42 144.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 50.08 37.5 14.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mttt 63.49 27.76 15.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.7 mtt -132.83 138.76 47.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.47 HD13 ' CG ' ' A' ' 49' ' ' GLU . 25.2 mm -92.78 118.81 39.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.7 ttm -115.86 140.88 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.45 150.91 29.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.6 119.3 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -108.71 163.02 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.64 139.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -71.61 -26.16 62.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 21.9 mt-10 -153.55 125.44 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' GLU . 10.1 ptt-85 -35.9 153.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.27 -142.15 7.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -128.05 118.09 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.766 . . . . 0.0 110.222 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.514 ' CG1' ' CD1' ' A' ' 45' ' ' TYR . 57.5 t -85.57 141.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.85 138.36 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.75 126.32 32.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 mt -112.46 -48.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.83 134.77 34.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.55 148.76 17.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.34 5.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.66 26.82 3.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.99 176.49 6.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -95.4 111.71 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.19 125.6 30.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.43 158.53 38.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.62 136.48 58.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.87 61.24 7.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -131.81 174.01 10.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.57 141.96 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.31 -58.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.05 159.38 42.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.12 154.06 22.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.071 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.09 143.64 38.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.352 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 7.2 mt -103.56 86.16 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -85.4 153.86 22.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.515 ' CB ' ' CD1' ' A' ' 75' ' ' LEU . 36.4 t -84.21 136.77 40.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.936 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -17.24 19.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.63 153.49 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.39 172.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.99 -137.38 4.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -157.34 113.56 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.2 153.01 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.7 p -127.78 -62.23 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -168.52 176.92 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -107.03 138.48 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.9 p -84.72 -11.3 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.599 1.187 . . . . 0.0 110.439 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 m -118.19 165.07 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.36 179.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -49.85 119.92 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.46 61.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.4 1.063 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.83 130.52 49.74 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -107.01 112.96 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 109.593 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -120.11 -179.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -112.23 155.37 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.31 93.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.87 -19.1 3.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -78.59 -174.17 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 p -120.77 134.96 55.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.542 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.6 p90 -118.09 -11.42 10.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.542 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . . . -165.37 -174.7 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -141.96 178.6 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.5 156.95 26.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' CG ' HD11 ' A' ' 54' ' ' ILE . 24.4 tt0 -119.36 112.25 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.0 141.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 57.41 35.73 26.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 19.51 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.7 mtt -125.11 142.31 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.421 HD11 ' CG ' ' A' ' 49' ' ' GLU . 16.0 mm -92.81 125.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ttt -124.77 140.82 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.25 149.45 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.103 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.72 122.99 49.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 43' ' ' SER . 1.3 p-10 -115.45 166.86 11.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -94.63 143.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' C ' ' CG ' ' A' ' 61' ' ' GLU . 1.6 mt-30 -77.96 -23.63 48.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 15.8 mt-10 -153.16 123.14 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -36.18 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.6 -139.55 5.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -135.56 120.14 18.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 45' ' ' TYR . 58.1 t -83.97 144.4 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.27 162.05 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.31 128.59 34.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.1 mm -126.36 -69.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -91.7 131.91 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.11 148.26 41.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.1 12.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.423 1.749 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.44 1.58 23.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.89 176.64 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.58 105.75 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.44 131.47 45.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.78 152.4 43.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 120.32 11.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 55.41 5.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.27 172.31 11.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.42 140.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.7 t -119.97 -54.6 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.77 -176.72 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.83 148.26 35.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -124.03 114.56 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -86.97 90.05 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -81.63 165.86 20.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -84.04 114.17 52.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.95 18.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.36 154.75 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.051 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 171.54 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.454 ' CA ' ' HB ' ' A' ' 50' ' ' VAL . . . 160.44 -140.45 6.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -158.12 121.83 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.91 153.52 40.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.5 p -130.22 -69.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -166.06 170.05 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -100.62 164.6 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.2 p -120.51 4.59 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -120.72 158.19 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.63 173.17 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.62 130.0 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.58 37.05 32.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 129.44 43.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -94.42 127.69 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.652 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.74 175.55 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.22 155.94 19.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.8 94.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -13.03 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -82.81 -174.0 5.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -124.94 133.39 53.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.046 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.495 ' CD1' HG12 ' A' ' 65' ' ' VAL . 4.5 p90 -116.17 -10.79 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 45' ' ' TYR . . . -166.39 176.57 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.67 177.96 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -157.27 163.54 38.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -123.78 106.65 10.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' HB ' ' CA ' ' A' ' 26' ' ' GLY . 3.2 p -129.13 140.31 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.56 35.49 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp 64.33 20.35 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.1 mtt -124.14 140.48 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.3 mm -91.89 115.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.606 1.191 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.8 ttt -116.3 140.93 48.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.07 146.05 28.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.454 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.81 124.83 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 43' ' ' SER . 3.6 p30 -116.91 168.82 9.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 m -98.01 143.44 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -80.58 -23.85 39.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ARG . 63.4 mm-40 -149.29 133.17 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -35.98 150.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 152.33 161.34 10.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 140.6 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.495 HG12 ' CD1' ' A' ' 45' ' ' TYR . 98.9 t -88.28 143.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.54 159.86 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.74 118.55 29.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.4 mm -117.62 -72.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -89.59 133.93 34.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.097 . . . . 0.0 109.26 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.49 154.68 63.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 128.03 11.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.08 13.31 11.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.67 172.55 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.85 122.76 45.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.62 125.26 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.93 153.86 46.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.234 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.54 130.01 43.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.7 54.57 24.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 m -129.86 172.64 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.48 148.53 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.69 -51.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.45 -178.76 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 167.87 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 1.7 tm? -131.3 129.39 41.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.27 88.1 2.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -76.94 149.76 35.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -71.69 116.21 45.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.52 20.12 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.565 1.824 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -163.38 153.21 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -179.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 154.7 -133.56 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -164.82 114.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.88 159.15 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.9 p -139.16 -62.2 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -167.46 -176.47 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -114.71 178.22 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -124.97 7.28 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.35 156.43 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -179.94 6.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.98 131.45 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.11 45.45 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 134.32 33.67 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -107.57 132.77 52.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' HG11 ' A' ' 59' ' ' VAL . 30.3 m -136.34 -175.96 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.82 155.8 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 93.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.07 -24.25 1.91 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -74.48 -176.02 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.396 0.704 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.5 p -118.94 130.23 55.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CD1' HG11 ' A' ' 65' ' ' VAL . 5.8 p90 -111.41 -20.08 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 45' ' ' TYR . . . -161.03 179.63 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -140.62 178.91 7.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -161.76 162.69 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 21.1 tt0 -120.94 118.93 31.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.226 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' MET . 3.1 p -135.2 138.36 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 49.4 43.19 23.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mttp 62.26 22.24 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -123.65 135.14 53.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.404 HD12 ' CG ' ' A' ' 49' ' ' GLU . 39.5 mm -91.58 117.44 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.4 ttp -114.56 140.44 48.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.35 144.58 26.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.93 114.6 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -102.47 163.61 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.423 HG11 ' CG2' ' A' ' 39' ' ' VAL . 11.5 m -92.75 130.77 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -66.27 -33.04 74.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' ARG . 59.1 mm-40 -147.29 127.11 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.36 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.06 -145.96 11.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -120.61 124.65 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.554 HG11 ' CD1' ' A' ' 45' ' ' TYR . 99.5 t -86.15 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.78 143.68 33.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.96 121.99 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -101.16 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -90.19 130.5 36.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -48.1 158.44 0.56 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.33 9.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.425 1.75 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.63 35.36 3.82 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.22 173.41 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 0.698 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.64 102.44 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.23 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.9 128.08 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.87 153.2 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.0 133.68 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.197 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.86 59.73 9.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -135.42 176.07 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.72 135.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -122.17 -58.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.55 165.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.4 166.96 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.208 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -124.05 128.58 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 6.2 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.06 89.03 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -82.21 156.79 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -79.87 119.65 77.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -16.88 19.87 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.0 148.75 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.941 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.71 175.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.54 -139.88 6.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.32 121.89 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.79 . . . . 0.0 109.359 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.96 144.6 55.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.7 p -123.3 -58.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -170.86 -177.56 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -119.11 173.54 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.1 p -121.84 12.16 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.7 148.06 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.81 178.59 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.73 131.77 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.29 39.48 5.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.32 138.88 45.54 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -102.73 138.24 39.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.68 -175.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -114.16 155.9 25.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.28 98.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.75 -6.57 5.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.6 1.188 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -90.07 -173.69 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.1 p -120.1 135.64 54.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.4 p90 -112.47 -13.77 13.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -167.46 -178.46 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -139.11 179.47 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.9 162.19 31.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' HD13 ' A' ' 54' ' ' ILE . 20.3 tt0 -120.2 116.32 25.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.23 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -136.03 138.18 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.87 39.96 23.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt 58.2 28.76 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtm -131.78 151.69 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.463 HD13 ' CG ' ' A' ' 49' ' ' GLU . 22.1 mm -100.77 130.13 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 17.0 ttt -134.14 141.09 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -76.42 148.42 37.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -111.55 112.5 24.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -92.87 174.67 7.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -102.39 151.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -71.62 -6.62 42.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 0.5 OUTLIER 163.93 155.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.261 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.11 151.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.94 160.79 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.24 130.59 34.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 45' ' ' TYR . 93.5 t -84.2 150.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.13 162.01 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -90.98 122.52 33.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mm -119.59 -70.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -88.61 135.11 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -59.87 148.1 77.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.83 5.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.54 1.49 8.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.94 175.42 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.277 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 1.8 p -93.73 116.01 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.23 155.08 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 122.3 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.67 54.54 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -129.21 171.5 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -99.61 138.93 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.59 -54.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.58 -178.61 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -109.18 157.89 18.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.253 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.98 115.98 21.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 0.0 109.369 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 1.9 mt -74.66 97.91 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -92.14 151.1 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 39.0 t -76.52 126.93 85.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.94 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.72 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 165.93 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.48 -142.26 7.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -156.13 110.79 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 tp -52.91 159.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -138.39 -62.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.78 -178.18 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -116.78 163.51 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 p -112.15 7.18 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -127.32 155.01 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.12 178.97 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 125.9 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.52 37.48 49.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.83 131.49 46.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -94.25 126.0 39.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 109.641 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.73 -175.7 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -117.38 156.42 27.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.37 101.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.375 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.87 -9.68 6.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -85.8 -173.66 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 p -119.81 136.89 54.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.4 p90 -115.85 -14.28 11.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . . . -171.95 -174.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.376 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.45 178.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.28 160.11 38.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' CG ' HD12 ' A' ' 54' ' ' ILE . 30.3 tt0 -117.53 114.69 23.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 144.59 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 52.19 44.77 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.14 34.07 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -138.55 147.47 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.471 HD12 ' CG ' ' A' ' 49' ' ' GLU . 20.1 mm -97.1 132.88 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.9 ttm -136.54 140.07 42.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.75 151.0 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 110.406 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -112.22 131.92 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.39 169.43 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -95.1 144.51 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.8 tm0? -70.98 -17.65 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.5 mt-10 -175.42 149.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -36.04 148.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.46 160.01 8.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -85.36 134.29 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 0.717 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 45' ' ' TYR . 93.7 t -90.65 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 162.1 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.75 124.26 36.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.28 -60.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -89.0 124.63 34.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.77 148.65 3.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 119.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.03 23.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.35 176.66 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 2.1 p -91.13 114.26 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -84.9 119.51 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.4 152.12 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 116.73 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.25 54.3 3.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.73 173.24 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.29 145.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.29 -66.24 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.19 -175.64 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -113.59 146.24 40.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.06 111.18 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -87.39 91.02 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -87.51 150.94 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -78.6 138.87 58.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.61 11.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 m -164.02 153.86 14.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.38 170.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.75 -137.99 5.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.79 115.1 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -64.35 158.13 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.7 p -138.45 -57.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -178.46 173.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.0 p90 -102.81 166.65 10.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 p -113.28 8.53 18.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.443 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.5 m -124.66 157.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -179.93 7.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.8 125.14 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.03 35.89 65.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.02 131.02 44.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -102.1 108.88 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 109.567 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -112.51 -175.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -110.22 156.16 21.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.46 93.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.31 -15.03 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -80.58 -174.31 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.7 p -119.28 136.44 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.6 p90 -115.04 -15.63 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' A' ' 45' ' ' TYR . . . -163.95 -173.01 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -142.64 179.52 6.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -157.24 157.47 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -119.77 113.48 20.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.36 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.48 143.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.1 mmm 53.42 35.67 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.09 26.27 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -129.19 136.85 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.0 mm -90.68 121.58 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 63.8 mtt -122.72 139.89 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -76.86 146.48 37.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.94 139.77 39.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 168.65 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 m -92.4 143.91 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.22 -19.54 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' ARG . 10.5 tt0 173.11 149.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.49 139.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.27 -142.65 7.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -132.4 125.08 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.5 t -85.18 138.9 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.53 161.95 29.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -92.91 115.83 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.4 mm -112.63 -71.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -81.51 121.33 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.01 148.04 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.603 1.19 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.47 4.92 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.08 5.36 9.7 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 176.24 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 2.5 p -93.21 116.14 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.25 128.38 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -125.95 148.76 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.89 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.61 47.9 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -125.33 172.64 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.0 p -88.07 145.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.05 -62.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.89 -173.84 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.67 151.61 28.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -125.07 120.04 30.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.85 90.95 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -77.69 159.36 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.5 t -86.93 115.71 63.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -12.94 21.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.461 1.769 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 154.43 13.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 150.08 47.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.44 -148.57 6.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.13 107.32 4.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.791 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.11 135.28 53.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -115.01 -65.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -164.45 -175.86 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -115.02 179.04 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 p -128.55 6.16 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.52 158.39 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 179.36 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.22 125.29 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.52 62.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.69 131.48 52.07 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -102.11 127.54 48.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' HG11 ' A' ' 59' ' ' VAL . 28.0 m -133.4 -177.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -111.23 155.11 23.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.95 106.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.29 -32.22 3.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.09 167.59 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 p -106.91 131.58 53.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.7 p90 -114.57 -21.87 10.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -159.19 -178.55 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -138.64 -178.95 5.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.7 ptm -159.94 152.15 20.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' HD13 ' A' ' 54' ' ' ILE . 25.6 tt0 -111.53 113.71 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.36 146.17 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 mmt 54.63 30.45 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.15 11.66 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.5 mtt -117.0 153.94 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.463 HD13 ' CG ' ' A' ' 49' ' ' GLU . 24.4 mm -97.45 132.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.8 mtt -130.28 139.51 50.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.21 145.45 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -111.67 123.18 49.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -107.99 168.24 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 39' ' ' VAL . 16.8 m -92.42 130.89 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.2 mm-40 -59.6 -32.21 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 41.2 mt-10 -157.06 133.2 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' GLU . 6.2 ptm180 -36.29 151.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.15 -138.78 5.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -136.65 120.39 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.804 . . . . 0.0 110.283 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 66' ' ' LYS . 59.4 t -83.65 146.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -138.57 162.09 35.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.52 115.64 24.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.8 mm -112.88 -68.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 131.69 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.0 146.31 15.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.95 5.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 2.73 10.98 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.39 176.37 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.7 116.35 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.44 136.05 36.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.171 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -133.54 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.66 131.39 49.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.67 59.66 7.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.08 173.21 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -96.45 145.0 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.5 -66.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.29 -179.4 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 143.95 39.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.3 109.52 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -74.1 86.41 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 159.04 31.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 25.8 t -79.41 116.22 58.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.937 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.6 20.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 152.68 22.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 167.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.6 -152.15 21.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -146.33 110.4 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -54.73 149.95 10.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -128.29 -72.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -158.29 -174.32 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.83 168.15 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.478 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 67.7 p -121.29 6.67 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.6 m -125.81 163.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.8 179.68 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 124.4 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.85 75.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.93 126.73 39.25 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 63' ' ' GLY . 8.7 t-160 -103.29 120.39 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -132.45 176.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -103.13 155.83 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.42 108.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.57 -31.52 3.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.37 163.87 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 0.721 . . . . 0.0 109.977 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.72 130.62 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.989 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 29.2 p90 -114.11 -11.71 12.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . . . -162.15 178.17 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' OE2' ' CG2' ' A' ' 32' ' ' THR . 2.9 mt-10 -135.53 179.74 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.92 150.02 13.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -109.74 112.95 25.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.51 148.12 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.8 mmm 50.6 41.08 25.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 60.23 18.34 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtt -122.39 152.41 40.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mm -101.67 104.27 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.7 mtt -102.9 140.15 37.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.74 150.47 24.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 mt -112.32 129.88 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -118.52 166.55 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 45' ' ' TYR . 33.1 m -90.7 131.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 61' ' ' GLU . 50.4 mm-40 -63.16 -32.65 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 9.1 mm-40 -147.88 131.74 17.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -36.59 150.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . 163.46 -147.42 13.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -127.22 125.47 41.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.397 0.704 . . . . 0.0 110.278 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' CG1' ' CD1' ' A' ' 45' ' ' TYR . 97.5 t -83.97 136.64 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.67 160.91 32.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.61 116.24 23.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mm -110.6 -65.75 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -93.65 146.98 23.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 148.39 98.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 120.49 6.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.98 -4.84 10.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.42 1.075 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.41 165.1 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.01 104.18 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -63.06 121.02 12.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -121.17 150.64 40.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.16 122.34 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.66 56.62 4.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.83 173.44 11.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 p -93.14 144.19 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.27 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.06 -179.19 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.0 166.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -140.46 105.65 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.19 89.23 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.46 161.88 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -79.56 115.21 51.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -10.17 21.17 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.6 m -167.83 153.25 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 175.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 152.43 -137.12 5.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -170.38 123.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.48 158.1 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -139.11 -59.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -162.74 -177.77 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.8 167.32 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -114.73 5.59 15.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.8 m -134.9 160.84 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -179.74 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 130.05 11.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.76 53.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.49 133.5 47.79 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -104.8 126.24 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' HG11 ' A' ' 59' ' ' VAL . 18.8 m -133.1 177.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.55 156.1 17.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.77 92.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -21.76 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -67.64 -173.84 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.746 . . . . 0.0 110.038 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -118.21 132.18 56.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 3.4 p90 -118.76 -9.47 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . . . -172.13 -177.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.39 172.49 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.86 160.1 43.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 47.7 tt0 -117.26 122.18 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 p -143.01 142.09 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 50.84 43.63 28.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt 59.49 19.77 8.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.1 mtm -124.32 146.16 48.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.455 HD13 ' CG ' ' A' ' 49' ' ' GLU . 11.4 mm -97.63 129.47 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.92 140.3 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.4 149.04 30.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -115.16 105.27 12.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.7 p30 -94.7 166.91 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.432 HG11 ' CG2' ' A' ' 39' ' ' VAL . 4.5 m -88.94 139.75 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -26.78 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 26.3 mt-10 -154.43 126.78 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' GLU . 5.6 ptm180 -36.85 151.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.441 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 155.26 -139.96 7.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -122.97 129.03 51.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.501 ' CG1' ' CD1' ' A' ' 45' ' ' TYR . 96.6 t -90.51 139.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.67 144.17 47.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.37 115.84 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -96.76 -60.65 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -88.38 145.48 25.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.31 157.72 69.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.2 -5.79 6.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.112 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.68 164.74 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 0.734 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -89.38 136.34 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.407 HD12 ' CG2' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -101.34 117.12 34.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -123.01 154.23 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.36 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.28 128.28 35.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.69 58.45 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -136.84 173.81 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 p -95.99 147.46 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' HD12 ' A' ' 75' ' ' LEU . 85.1 t -133.18 -55.88 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.09 167.8 28.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 163.32 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 0.4 OUTLIER -114.67 143.7 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 3.1 mt -74.71 87.93 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -78.09 147.23 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 13.6 t -74.32 134.56 76.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -21.76 15.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 165.28 4.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 172.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.11 -131.37 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLU . 64.8 tttt -162.41 115.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.1 158.06 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -132.76 -64.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -171.77 167.43 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -93.5 159.08 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 p -104.88 -3.23 23.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -117.44 158.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -179.98 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.3 117.58 3.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.87 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.91 142.57 43.86 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -114.21 116.92 29.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -119.42 168.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.11 157.75 16.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.17 100.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.31 -13.56 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.3 m -85.41 -174.73 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.052 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -121.47 134.94 55.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.0 p90 -116.22 -15.1 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 45' ' ' TYR . . . -166.21 -178.81 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -139.0 -179.39 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.01 154.88 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' LYS . 35.8 tt0 -114.97 116.44 28.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 145.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.5 mmm 53.53 27.4 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.42 13.61 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.3 mtp -119.48 139.83 51.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mm -88.13 131.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.1 mtp -131.01 138.87 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.6 150.67 28.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mt -113.13 125.91 54.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 p30 -115.41 167.34 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.79 133.51 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.85 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' ARG . 23.0 mt-10 -148.0 131.67 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.02 152.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 84' ' ' LEU . . . 163.29 172.87 31.31 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -92.81 119.99 32.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.391 0.701 . . . . 0.0 110.304 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -84.15 139.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 162.07 32.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.9 121.59 28.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.32 -69.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.381 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -89.19 144.02 26.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.236 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.23 147.4 91.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 123.48 7.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.39 6.15 27.58 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.83 174.21 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 0.729 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -93.3 102.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -63.14 148.92 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -142.41 151.05 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.7 130.26 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.28 57.86 13.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.76 173.05 12.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.54 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -121.3 -68.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.45 -175.25 3.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -109.86 143.77 39.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -122.63 111.57 16.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.336 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -84.61 87.55 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -80.02 159.61 26.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 t -90.31 131.9 37.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.43 10.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.493 1.786 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 m -160.78 158.73 29.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 168.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.44 -138.12 4.81 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -162.33 106.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -53.76 158.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.5 p -141.51 -53.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -175.22 166.54 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.32 136.37 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -73.24 -18.03 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.2 m -105.23 164.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -101.46 179.76 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.68 123.68 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.69 26.87 74.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -51.28 137.26 29.7 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.409 ' CD2' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -111.26 108.4 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.561 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.404 HG21 ' CG1' ' A' ' 59' ' ' VAL . 13.7 m -117.41 -177.14 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -118.15 155.76 29.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 100.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.2 -19.21 6.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 4.6 m -75.3 -176.09 2.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 p -119.01 131.46 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.979 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.3 p90 -117.0 -12.89 10.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 45' ' ' TYR . . . -164.57 -175.5 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -144.97 177.72 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 ptm -155.03 161.02 41.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -121.28 96.91 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 51' ' ' MET . 4.8 p -115.34 142.3 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.417 ' N ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER 53.74 36.16 23.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.19 12.8 8.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -115.87 140.06 49.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -89.06 127.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.5 ttm -126.78 140.97 51.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.02 147.85 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -112.91 117.68 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.2 p30 -106.96 166.86 10.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.404 ' CG1' HG21 ' A' ' 39' ' ' VAL . 22.0 m -90.44 139.83 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 3.8 mt-30 -68.49 -25.68 65.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 28.4 mt-10 -160.79 138.86 9.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.66 146.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.64 -164.41 35.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG3' ' CD2' ' A' ' 38' ' ' HIS . 18.8 mtm-85 -112.97 122.54 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 0.803 . . . . 0.0 110.24 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 45' ' ' TYR . 83.5 t -85.35 131.29 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -122.63 162.07 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.19 122.47 29.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.4 mm -118.43 -76.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.91 134.34 35.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -54.62 152.16 13.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.0 17.29 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.38 22.25 17.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.37 176.52 7.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 7.2 p -94.38 104.64 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.83 140.06 49.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -138.15 155.67 48.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 137.28 57.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.51 58.19 15.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 p -97.28 139.67 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -121.17 -64.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.2 -176.69 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.07 153.41 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -120.31 104.46 10.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -114.5 101.01 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -95.16 162.32 13.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.0 t -84.88 125.19 71.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.13 17.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.0 153.01 19.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.78 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.73 9.27 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.79 114.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 0.831 . . . . 0.0 109.241 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -63.74 138.9 58.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.1 p -113.46 -68.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -170.1 177.12 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -95.4 170.89 9.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -129.82 16.43 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.477 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m -131.32 155.38 41.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 177.13 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.31 128.63 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.61 39.03 65.08 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.01 127.89 41.42 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -104.91 142.66 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.579 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -155.5 -178.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.24 162.36 14.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.95 93.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.32 -25.03 0.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 44' ' ' SER . 15.4 t -79.58 -176.59 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.462 ' N ' ' OG ' ' A' ' 43' ' ' SER . 0.9 OUTLIER -118.14 133.06 56.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p90 -115.25 -17.94 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 45' ' ' TYR . . . -158.67 -176.26 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.88 172.72 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -149.81 160.66 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.77 106.18 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.0 p -130.11 140.25 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.93 36.95 27.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp 65.07 14.08 9.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.88 134.03 55.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.55 115.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.0 tpt -111.14 140.61 45.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.67 146.69 30.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -107.65 118.19 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -103.95 166.82 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.8 m -98.3 129.54 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -33.46 74.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ARG . 6.1 mm-40 -146.81 134.53 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' GLU . 7.5 ptp180 -36.1 153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 152.06 167.15 14.82 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -85.57 130.72 34.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.34 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 45' ' ' TYR . 95.1 t -84.0 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' N ' HG13 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -130.23 161.19 31.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.48 122.13 33.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.0 mm -115.42 -66.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -92.99 146.33 23.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.87 151.89 88.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 120.66 6.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.45 7.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.08 161.18 24.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.99 98.07 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.78 129.72 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.07 152.31 48.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.13 122.53 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.49 56.55 6.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 m -128.96 172.49 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.34 134.22 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -118.18 -57.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.386 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.33 171.48 16.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -112.43 144.97 40.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.228 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.464 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 3.2 tm? -96.39 135.32 38.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.29 101.88 5.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -92.01 134.49 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -60.14 131.25 89.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.56 9.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.608 1.846 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -163.62 163.42 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 177.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.54 -139.84 6.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.69 100.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -42.91 159.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.4 p -132.79 -61.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -178.92 166.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD1' ' CZ ' ' A' ' 67' ' ' TYR . 21.0 m-85 -90.93 162.51 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.9 p -111.53 -5.25 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.3 m -117.79 167.1 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.89 179.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.26 127.16 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.56 38.07 34.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.25 129.91 50.26 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.38 114.68 26.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.751 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 m -120.46 169.37 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -104.11 153.66 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.22 92.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 109.316 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.49 -22.75 2.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 m -76.65 -175.26 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.082 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.2 p -122.36 134.67 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.2 p90 -118.38 -10.41 10.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -171.05 -176.59 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -147.31 173.47 12.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.89 163.79 37.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' CG ' HD12 ' A' ' 54' ' ' ILE . 45.1 tt0 -120.46 113.31 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.05 138.14 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.03 35.84 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt 66.11 14.72 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.8 mtp -121.49 145.34 48.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.462 HD12 ' CG ' ' A' ' 49' ' ' GLU . 6.9 mm -97.86 123.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -119.98 140.93 50.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -80.21 148.76 30.71 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.566 1.166 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.43 116.53 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.7 OUTLIER -109.96 166.56 10.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.8 m -97.61 130.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.4 ' OE1' ' ND2' ' A' ' 58' ' ' ASN . 3.1 mp0 -69.55 -33.82 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -136.94 125.01 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.08 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.32 -158.88 31.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -120.22 124.6 46.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 45' ' ' TYR . 91.0 t -84.54 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.31 161.57 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CZ ' ' CD1' ' A' ' 31' ' ' TYR . 2.9 m-85 -89.74 116.19 27.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -110.0 -68.27 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -89.87 125.8 35.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.69 153.53 4.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 125.65 9.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.22 10.65 10.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.06 165.18 19.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 p -91.5 108.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.92 132.89 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -132.28 152.83 51.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.18 139.54 57.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.38 61.59 6.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.77 -176.04 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 p -103.92 137.09 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -117.33 -65.49 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.87 -179.15 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.67 149.21 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 mt -126.18 114.85 18.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 8.7 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.2 mt -73.84 92.16 2.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -91.22 144.6 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.323 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t -50.73 106.83 0.69 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.45 160.71 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.42 155.73 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.29 -143.33 7.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.38 113.63 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.232 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -56.15 132.86 51.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -109.18 -65.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -174.85 171.55 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -100.35 145.95 27.54 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.41 1.069 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 p -93.08 -15.52 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.25 162.99 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 173.6 7.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.92 122.24 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.17 33.44 64.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.418 1.074 . . . . 0.0 111.045 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.22 130.51 51.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -110.14 131.61 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 109.596 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -153.38 -177.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.403 ' O ' ' OG ' ' A' ' 43' ' ' SER . 15.9 pt-20 -113.23 152.85 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.3 110.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.72 -31.69 3.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -66.61 156.01 36.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 0.784 . . . . 0.0 109.984 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p -98.54 132.02 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.93 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.538 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 4.4 p90 -114.84 -17.82 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB3' ' CD1' ' A' ' 45' ' ' TYR . . . -158.89 174.75 14.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -144.3 -179.0 6.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.93 171.48 12.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -126.18 112.44 15.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.21 141.0 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.5 mtm 58.59 29.6 18.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.28 22.67 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -130.54 123.5 29.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 54' ' ' ILE . 1.7 mp -76.08 120.44 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ttm -118.22 146.18 44.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.2 m -92.31 151.71 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.64 125.26 51.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -116.77 165.04 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.41 135.39 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -30.34 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.1 mm-40 -141.53 125.24 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' GLU . 3.8 ptt180 -36.12 150.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.63 1.206 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.24 -150.18 14.96 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' N ' HD22 ' A' ' 84' ' ' LEU . 1.3 mtt180 -127.74 120.0 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 45' ' ' TYR . 48.0 t -87.2 141.12 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -139.52 162.08 35.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.86 132.14 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 mt -134.79 -47.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -107.3 123.08 47.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.387 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 146.05 28.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 129.43 12.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.59 -0.34 13.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.08 161.35 22.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p -86.57 129.35 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 125.77 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 150.95 41.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 127.64 32.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.31 53.63 6.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.86 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 p -101.98 150.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 t -129.43 -63.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.93 -177.52 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -118.05 146.11 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 64' ' ' ARG . 2.3 tm? -112.34 108.23 17.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.79 90.09 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -80.71 161.18 24.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 24' ' ' SER . 11.5 t -80.37 119.34 76.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -15.96 20.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.402 ' O ' ' OG ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -163.22 156.08 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 166.85 3.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.1 -152.74 21.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -148.23 109.12 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -51.85 149.78 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 p -130.43 -62.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -173.74 160.69 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -84.29 170.4 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 p -120.06 -0.67 10.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.34 160.29 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.91 179.62 7.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.01 129.31 17.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.47 33.91 41.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.31 129.32 48.98 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.41 121.4 37.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.598 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 59' ' ' VAL . 15.9 m -124.48 171.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -111.99 153.65 26.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.94 110.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.0 -23.63 6.51 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.2 m -74.52 -179.39 4.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.49 133.48 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 3.6 p90 -120.15 -7.75 9.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.54 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -172.0 176.72 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -139.25 179.82 6.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.0 ptm -158.19 144.22 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -97.67 103.62 15.57 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.98 138.51 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mmt 54.26 45.12 27.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 56.57 24.82 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.348 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 144.92 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -92.32 115.53 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 ttt -108.19 140.91 40.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.84 143.75 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -110.54 116.19 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.1 p30 -109.18 163.04 13.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.423 ' CG1' HG23 ' A' ' 39' ' ' VAL . 18.1 m -88.73 135.74 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 1.8 tt0 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' ARG . 76.2 mm-40 -152.36 132.35 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' GLU . 3.1 ptt180 -36.86 154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.5 -142.6 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' N ' HD21 ' A' ' 84' ' ' LEU . 20.9 mtm-85 -130.82 125.55 33.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.52 HG13 ' CD1' ' A' ' 45' ' ' TYR . 75.5 t -84.43 129.4 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 160.9 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.192 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -83.74 119.79 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.1 mm -115.44 -60.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -102.35 148.23 25.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -72.57 149.96 91.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.95 12.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.83 9.43 24.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.8 169.23 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.4 p -91.33 101.75 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.82 135.59 52.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.68 152.8 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 129.13 39.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.14 58.58 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.0 175.85 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.38 145.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -124.75 -56.95 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.78 177.89 8.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 170.1 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 64' ' ' ARG . 2.8 tm? -134.52 116.64 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD21 ' CE2' ' A' ' 45' ' ' TYR . 4.1 mt -90.43 86.86 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -81.24 167.46 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -91.42 119.29 68.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.09 18.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.558 1.82 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.3 158.27 26.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.11 168.37 5.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.46 -139.08 5.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -164.89 109.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.81 151.84 7.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 p -133.58 -54.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -169.11 -177.28 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -115.4 168.89 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -116.98 10.2 13.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.73 153.46 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.85 179.76 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -45.16 126.91 6.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.48 37.74 19.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.39 135.15 51.6 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 39' ' ' VAL . 1.6 t-160 -102.21 134.46 45.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.561 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.424 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 29.2 m -139.77 -178.41 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -98.63 158.16 15.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.75 106.0 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.52 -32.85 3.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -58.07 161.02 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.8 p -93.96 133.13 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD1' HG11 ' A' ' 65' ' ' VAL . 7.7 p90 -114.56 -22.72 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB1' ' CE1' ' A' ' 45' ' ' TYR . . . -156.94 -179.91 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -139.6 175.88 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -153.05 161.17 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -120.64 106.28 11.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 51' ' ' MET . 4.3 p -126.54 142.68 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.413 ' N ' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER 52.49 36.91 21.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt 67.1 10.14 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 54' ' ' ILE . 2.1 ttm -114.42 147.45 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 53' ' ' MET . 29.4 mm -98.0 126.46 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -120.94 139.44 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.5 147.21 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.66 121.59 44.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -106.4 162.87 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -88.62 136.42 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.5 mm100 -64.42 -29.05 70.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 45.2 mt-10 -158.51 131.33 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -37.13 155.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.08 -136.1 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -128.14 128.61 45.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 45' ' ' TYR . 72.0 t -89.71 131.5 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.45 141.79 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.86 122.91 29.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.91 -51.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -96.23 142.68 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 157.74 42.59 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.35 16.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.34 26.7 11.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.7 176.1 6.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 4.0 p -94.36 113.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.45 HD11 ' CG2' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -83.53 123.4 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -126.79 158.95 35.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.36 136.42 58.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.63 56.15 23.75 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.6 m -125.23 172.66 9.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.68 130.72 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 75' ' ' LEU . 71.9 t -119.36 -58.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.93 -177.88 6.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.64 147.74 50.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.96 143.2 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.5 87.66 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 -93.34 163.8 13.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 t -84.99 123.72 73.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.2 15.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.53 154.97 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.957 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.0 149.1 50.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 -146.61 5.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -151.06 112.49 4.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.607 0.827 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -57.94 148.09 26.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.8 p -129.11 -60.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -177.57 161.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -83.53 166.5 18.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -120.28 -0.22 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.8 m -115.01 163.37 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.93 179.6 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.23 134.86 4.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.93 42.02 21.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.48 129.24 39.58 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 63' ' ' GLY . 40.2 t-80 -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.42 ' CG2' HG12 ' A' ' 59' ' ' VAL . 27.5 m -134.56 177.69 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.5 92.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.4 -15.7 2.5 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -79.95 -174.02 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -123.24 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p90 -114.96 -18.22 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -160.86 -175.84 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.8 178.84 7.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 ptm -161.45 145.66 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.29 104.02 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' MET . 1.5 p -135.35 153.52 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.377 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 53.76 26.24 5.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 73.05 5.98 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.42 ' CG ' ' O ' ' A' ' 50' ' ' VAL . 9.0 ptp -123.37 148.01 46.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.0 mm -84.66 109.03 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.55 139.74 34.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 55' ' ' MET . 0.6 OUTLIER -80.78 148.24 30.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mt -111.18 121.03 44.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' SER . 44.5 m-20 -105.89 164.79 11.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' CG2' ' A' ' 39' ' ' VAL . 23.1 m -88.18 141.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.507 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 2.1 mp0 -67.22 -26.78 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 46.9 mt-10 -159.52 135.42 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.38 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . 159.45 -142.4 8.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -131.51 139.01 49.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG22 ' CG ' ' A' ' 45' ' ' TYR . 70.9 t -89.46 136.45 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -126.64 160.3 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -87.98 114.85 24.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.2 mm -111.27 -60.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.415 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -101.05 149.74 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.35 147.7 95.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 125.75 9.51 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.449 1.763 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.05 22.25 6.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.01 169.73 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 9.2 p -86.62 103.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.16 115.74 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.17 154.51 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 132.0 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.95 59.05 10.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -132.2 172.83 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.8 p -97.14 140.45 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.9 t -126.59 -61.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.0 178.51 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.388 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 146.29 44.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -105.82 135.98 46.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -82.27 88.02 6.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -83.18 151.42 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.433 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 47.5 t -70.69 124.09 90.3 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -18.4 18.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.9 158.9 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.72 166.16 9.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.57 -137.92 4.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.43 106.5 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -51.9 150.03 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 30' ' ' GLN . 54.4 p -125.74 -71.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.447 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' OG1' ' A' ' 29' ' ' THR . 12.0 pt20 -168.95 178.34 4.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.08 152.91 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 p -98.52 -6.07 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -118.18 158.54 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -82.63 173.63 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.78 119.36 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' ARG . . . 64.16 34.53 90.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -65.97 130.15 32.91 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -91.65 142.98 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.642 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -147.51 178.63 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 10.6 pt-20 -116.25 -168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 62' ' ' ARG . . . -93.05 99.76 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.68 -10.44 3.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -90.26 -175.33 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.5 p -126.94 131.21 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.0 p90 -109.77 -17.77 13.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 45' ' ' TYR . . . -158.42 174.72 14.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -139.05 -179.64 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 ptm -156.6 167.67 29.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -129.24 99.52 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.5 p -124.36 139.63 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.33 29.35 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 70.33 9.42 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.3 mtt -115.52 133.7 55.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.7 mm -83.66 123.0 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' THR . 6.7 tpt -118.96 140.37 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' MET . 0.5 OUTLIER -84.02 150.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -114.12 108.23 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.052 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -100.83 169.73 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 40' ' ' GLU . 32.5 m -102.8 145.7 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -76.38 -22.86 54.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ARG . 45.7 mt-10 -152.87 136.39 15.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' GLU . 2.3 mtp180 -37.48 157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 150.84 164.28 11.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 36' ' ' GLY . 4.5 ttp180 -84.84 136.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG23 ' CG ' ' A' ' 45' ' ' TYR . 53.1 t -89.57 139.62 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -127.56 161.49 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.259 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.28 127.07 36.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.7 mm -116.14 -58.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.77 139.7 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.96 145.85 16.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.41 5.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 122.12 1.0 10.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.6 171.23 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.56 113.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.433 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -76.69 121.28 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.98 154.49 35.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.0 132.22 51.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.42 57.93 15.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -132.85 170.96 14.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -94.92 137.48 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.09 -55.93 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.91 177.13 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -115.26 159.85 20.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 1.4 tm? -124.36 126.47 46.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -84.76 94.91 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -92.88 159.45 15.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.408 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 34.1 t -82.88 119.5 74.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -12.78 21.41 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.41 1.742 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 146.9 4.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 162.09 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.44 -139.34 5.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 119.78 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.265 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.8 154.8 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 p -136.07 -69.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -162.67 -175.91 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -111.21 172.22 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -120.19 6.48 10.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -123.41 167.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.66 179.91 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.41 131.7 3.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.445 ' O ' ' NE ' ' A' ' 64' ' ' ARG . . . 43.95 40.11 5.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.45 141.6 47.94 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -110.39 140.05 44.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.635 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.96 172.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -103.38 158.08 16.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.74 93.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.99 -20.28 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.565 1.166 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 15.0 t -78.68 -177.14 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 0.0 109.966 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' OG ' ' A' ' 43' ' ' SER . 27.2 p -119.11 133.33 55.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.2 p90 -118.12 -8.49 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' HB3' ' CD1' ' A' ' 45' ' ' TYR . . . -169.21 -176.57 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -142.76 -179.53 6.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.98 150.22 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.92 112.05 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 p -131.52 140.35 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.32 37.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.35 24.11 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.5 139.57 52.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.8 mm -92.78 116.12 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.376 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 mtp -115.71 139.44 50.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.132 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.31 145.54 30.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.47 131.12 54.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 5.2 p30 -116.1 166.06 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -88.97 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -71.38 -26.04 62.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' ARG . 35.7 mt-10 -155.72 129.35 8.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.47 148.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 160.69 -141.45 7.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 36' ' ' GLY . 7.2 mtt180 -129.89 131.52 46.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.49 HG23 ' CG ' ' A' ' 45' ' ' TYR . 70.6 t -83.96 143.58 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -134.5 161.98 33.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.13 126.35 35.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.4 mm -121.12 -70.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -90.1 133.71 34.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -53.56 148.39 18.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.576 1.83 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.92 6.02 23.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.62 176.84 8.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 0.733 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 1.3 p -97.18 114.03 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.408 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -74.62 111.6 9.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.47 149.34 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.168 . . . . 0.0 110.329 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 111.39 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.7 51.13 2.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.24 -171.98 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -106.23 146.87 12.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.1 t -123.64 -64.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.39 -176.82 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.86 143.59 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 1.0 OUTLIER -100.68 133.78 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -174.84 102.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.756 . . . . 0.0 109.971 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 p -70.19 -58.69 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.51 150.0 7.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.58 1.175 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -172.56 157.97 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.984 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -164.6 163.59 21.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.48 -176.67 40.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.4 p -100.0 159.96 14.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -123.07 85.84 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 108.306 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 63.5 t -112.09 143.06 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.51 142.42 40.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.45 122.04 13.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -89.63 94.92 10.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -171.71 89.99 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.7 99.77 2.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.21 155.62 90.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -7.15 18.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -114.86 37.03 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p -137.44 143.72 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mt -116.98 87.6 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -81.97 164.47 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.3 t -84.0 120.64 75.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.06 150.23 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.78 172.93 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.28 -134.5 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 109.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.53 137.68 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 p -118.06 -66.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -161.77 -176.79 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -114.67 166.53 11.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -113.96 6.29 16.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 m -137.41 153.75 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.93 178.34 7.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.02 138.42 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.64 37.24 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.568 1.167 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.15 136.09 40.18 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.504 ' CE1' ' OD2' ' A' ' 87' ' ' ASP . 1.9 t60 -96.96 136.12 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -142.05 -176.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -103.26 156.37 17.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.51 98.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.58 -26.91 3.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.151 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.24 160.45 18.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 0.742 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -92.85 132.93 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.581 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -115.15 -17.12 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.4 178.4 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.0 -178.9 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -163.82 165.72 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 111.019 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CG ' HD13 ' A' ' 54' ' ' ILE . 20.3 tt0 -123.6 117.19 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.42 144.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 50.08 37.5 14.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mttt 63.49 27.76 15.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.7 mtt -132.83 138.76 47.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.47 HD13 ' CG ' ' A' ' 49' ' ' GLU . 25.2 mm -92.78 118.81 39.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.7 ttm -115.86 140.88 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.45 150.91 29.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.6 119.3 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -108.71 163.02 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.64 139.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -71.61 -26.16 62.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 21.9 mt-10 -153.55 125.44 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' GLU . 10.1 ptt-85 -35.9 153.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.27 -142.15 7.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -128.05 118.09 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.766 . . . . 0.0 110.222 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.514 ' CG1' ' CD1' ' A' ' 45' ' ' TYR . 57.5 t -85.57 141.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.85 138.36 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.75 126.32 32.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 mt -112.46 -48.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.83 134.77 34.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.55 148.76 17.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.34 5.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.66 26.82 3.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.99 176.49 6.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -95.4 111.71 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.19 125.6 30.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.43 158.53 38.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.62 136.48 58.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.87 61.24 7.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -131.81 174.01 10.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.57 141.96 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.31 -58.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.05 159.38 42.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.12 154.06 22.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.071 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.09 143.64 38.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.7 103.59 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.39 124.1 16.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' OD2' ' CE1' ' A' ' 38' ' ' HIS . 19.3 p30 -93.08 -8.59 42.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -141.74 67.3 23.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.47 14.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.67 135.65 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -169.55 81.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.62 115.26 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.35 153.63 74.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.646 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 77.23 3.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.564 1.823 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.38 122.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.23 -165.39 38.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.26 39.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.439 1.757 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -140.65 151.15 44.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.37 148.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.962 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 p -118.34 163.29 16.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.45 147.01 49.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.18 -153.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 p -164.41 135.39 4.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.2 136.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.54 133.8 12.04 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.9 t -102.21 127.45 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.7 m 44.12 80.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 108.356 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.71 150.58 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.382 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 64.22 94.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.93 163.15 38.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.33 80.34 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.38 86.94 2.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -158.73 84.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -92.13 147.08 33.98 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.5 18.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -108.28 50.54 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.98 135.93 52.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 7.2 mt -103.56 86.16 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -85.4 153.86 22.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.515 ' CB ' ' CD1' ' A' ' 75' ' ' LEU . 36.4 t -84.21 136.77 40.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.936 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -17.24 19.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.63 153.49 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.39 172.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.99 -137.38 4.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -157.34 113.56 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.2 153.01 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.7 p -127.78 -62.23 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -168.52 176.92 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -107.03 138.48 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.9 p -84.72 -11.3 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.599 1.187 . . . . 0.0 110.439 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 m -118.19 165.07 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.36 179.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -49.85 119.92 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.46 61.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.4 1.063 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.83 130.52 49.74 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.59 ' CE1' ' OD2' ' A' ' 87' ' ' ASP . 2.4 t-160 -107.01 112.96 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 109.593 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -120.11 -179.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -112.23 155.37 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.31 93.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.87 -19.1 3.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -78.59 -174.17 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 p -120.77 134.96 55.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.542 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.6 p90 -118.09 -11.42 10.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.542 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . . . -165.37 -174.7 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -141.96 178.6 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.5 156.95 26.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' CG ' HD11 ' A' ' 54' ' ' ILE . 24.4 tt0 -119.36 112.25 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.0 141.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 57.41 35.73 26.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 19.51 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.7 mtt -125.11 142.31 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.421 HD11 ' CG ' ' A' ' 49' ' ' GLU . 16.0 mm -92.81 125.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ttt -124.77 140.82 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.25 149.45 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.103 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.72 122.99 49.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 43' ' ' SER . 1.3 p-10 -115.45 166.86 11.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -94.63 143.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' C ' ' CG ' ' A' ' 61' ' ' GLU . 1.6 mt-30 -77.96 -23.63 48.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 15.8 mt-10 -153.16 123.14 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -36.18 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.6 -139.55 5.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -135.56 120.14 18.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 45' ' ' TYR . 58.1 t -83.97 144.4 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.27 162.05 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.31 128.59 34.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.1 mm -126.36 -69.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -91.7 131.91 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.11 148.26 41.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.1 12.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.423 1.749 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.44 1.58 23.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.89 176.64 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.58 105.75 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.44 131.47 45.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.78 152.4 43.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 120.32 11.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 55.41 5.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.27 172.31 11.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.42 140.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.7 t -119.97 -54.6 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.77 -176.72 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.83 148.26 35.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -124.03 114.56 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.18 105.09 17.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -43.99 111.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.59 ' OD2' ' CE1' ' A' ' 38' ' ' HIS . 28.7 p30 -87.44 -6.85 58.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -138.46 69.78 46.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.231 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.7 20.04 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.24 127.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -164.21 92.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.66 97.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -49.0 118.25 7.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.577 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -66.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.774 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.55 149.13 22.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.952 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.91 -177.77 43.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.7 39.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 p -154.75 135.77 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.2 p -179.63 145.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.565 1.166 . . . . 0.0 110.959 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.3 p -110.74 158.49 18.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 0.75 . . . . 0.0 110.042 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -142.64 147.81 36.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.84 -134.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -136.76 90.66 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m -162.2 128.07 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 146.92 18.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.8 p -108.71 67.58 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.405 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.61 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.9 t 63.96 103.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.24 130.88 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -166.41 115.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.356 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.17 167.78 17.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -140.51 160.45 39.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.132 . . . . 0.0 110.245 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.39 99.68 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.34 87.15 0.43 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.41 3.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 p -111.28 -6.39 14.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 p -129.29 121.07 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -86.97 90.05 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -81.63 165.86 20.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -84.04 114.17 52.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.95 18.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.36 154.75 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.051 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 171.54 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.454 ' CA ' ' HB ' ' A' ' 50' ' ' VAL . . . 160.44 -140.45 6.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -158.12 121.83 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.91 153.52 40.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.5 p -130.22 -69.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -166.06 170.05 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -100.62 164.6 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.2 p -120.51 4.59 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -120.72 158.19 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.63 173.17 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.62 130.0 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.58 37.05 32.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 129.44 43.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -94.42 127.69 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.652 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.74 175.55 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.22 155.94 19.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.8 94.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -13.03 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -82.81 -174.0 5.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -124.94 133.39 53.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.046 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.495 ' CD1' HG12 ' A' ' 65' ' ' VAL . 4.5 p90 -116.17 -10.79 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 45' ' ' TYR . . . -166.39 176.57 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.67 177.96 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -157.27 163.54 38.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -123.78 106.65 10.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' HB ' ' CA ' ' A' ' 26' ' ' GLY . 3.2 p -129.13 140.31 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.56 35.49 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp 64.33 20.35 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.1 mtt -124.14 140.48 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.3 mm -91.89 115.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.606 1.191 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.8 ttt -116.3 140.93 48.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.07 146.05 28.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.454 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.81 124.83 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 43' ' ' SER . 3.6 p30 -116.91 168.82 9.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 m -98.01 143.44 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -80.58 -23.85 39.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ARG . 63.4 mm-40 -149.29 133.17 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -35.98 150.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 152.33 161.34 10.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 140.6 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.495 HG12 ' CD1' ' A' ' 45' ' ' TYR . 98.9 t -88.28 143.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.54 159.86 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.74 118.55 29.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.4 mm -117.62 -72.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -89.59 133.93 34.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.097 . . . . 0.0 109.26 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.49 154.68 63.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 128.03 11.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.08 13.31 11.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.67 172.55 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.85 122.76 45.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.62 125.26 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.93 153.86 46.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.234 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.54 130.01 43.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.7 54.57 24.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 m -129.86 172.64 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.48 148.53 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.69 -51.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.45 -178.76 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 167.87 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 1.7 tm? -131.3 129.39 41.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.8 93.09 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.79 116.37 1.93 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -86.01 -8.12 58.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -141.43 69.49 26.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.04 14.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.7 t -178.02 145.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -136.69 -139.59 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.4 p -139.63 142.13 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -119.32 150.79 50.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 114.46 4.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.38 149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.936 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.99 -170.13 43.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 144.66 30.86 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.575 1.829 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 t -108.66 108.9 19.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.8 m 59.87 108.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.31 -59.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.949 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.46 149.42 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.81 -88.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -127.4 83.09 2.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.454 0.738 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.84 133.84 53.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.072 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.61 78.23 0.31 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.399 1.062 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 p -82.93 141.26 32.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.6 p -64.81 128.57 36.31 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.576 1.173 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.5 t -123.04 150.66 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -173.13 140.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.36 161.97 10.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 58.93 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -142.76 160.82 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -124.29 167.91 13.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -112.55 120.52 40.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.33 3.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.797 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' LEU . 26.5 p -113.93 -52.83 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.43 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -83.94 109.61 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.27 88.1 2.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -76.94 149.76 35.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -71.69 116.21 45.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.52 20.12 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.565 1.824 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -163.38 153.21 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -179.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 154.7 -133.56 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -164.82 114.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.88 159.15 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.9 p -139.16 -62.2 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -167.46 -176.47 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -114.71 178.22 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -124.97 7.28 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.35 156.43 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -179.94 6.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.98 131.45 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.11 45.45 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 134.32 33.67 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -107.57 132.77 52.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' HG11 ' A' ' 59' ' ' VAL . 30.3 m -136.34 -175.96 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.82 155.8 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 93.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.07 -24.25 1.91 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -74.48 -176.02 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.396 0.704 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.5 p -118.94 130.23 55.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CD1' HG11 ' A' ' 65' ' ' VAL . 5.8 p90 -111.41 -20.08 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 45' ' ' TYR . . . -161.03 179.63 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -140.62 178.91 7.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -161.76 162.69 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 21.1 tt0 -120.94 118.93 31.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.226 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' MET . 3.1 p -135.2 138.36 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 49.4 43.19 23.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mttp 62.26 22.24 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -123.65 135.14 53.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.404 HD12 ' CG ' ' A' ' 49' ' ' GLU . 39.5 mm -91.58 117.44 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.4 ttp -114.56 140.44 48.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.35 144.58 26.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.93 114.6 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -102.47 163.61 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.423 HG11 ' CG2' ' A' ' 39' ' ' VAL . 11.5 m -92.75 130.77 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -66.27 -33.04 74.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' ARG . 59.1 mm-40 -147.29 127.11 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.36 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.06 -145.96 11.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -120.61 124.65 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.554 HG11 ' CD1' ' A' ' 45' ' ' TYR . 99.5 t -86.15 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.78 143.68 33.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.96 121.99 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -101.16 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -90.19 130.5 36.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -48.1 158.44 0.56 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.33 9.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.425 1.75 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.63 35.36 3.82 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.22 173.41 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 0.698 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.64 102.44 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.23 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.9 128.08 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.87 153.2 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.0 133.68 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.197 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.86 59.73 9.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -135.42 176.07 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.72 135.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -122.17 -58.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.55 165.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.4 166.96 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.208 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' THR . 3.5 tm? -124.05 128.58 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.54 94.52 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.4 114.81 1.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -8.25 56.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -147.64 90.06 5.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -21.37 15.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -116.08 80.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.64 -140.37 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.5 t 61.75 144.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 41.12 89.36 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.651 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 130.17 13.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 t -48.54 133.36 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.9 -147.27 5.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.19 33.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t 74.43 163.28 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -117.3 -60.96 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.33 144.45 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.486 0.756 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.32 168.72 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.35 -159.82 35.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -178.55 156.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 0.734 . . . . 0.0 109.89 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -44.76 163.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.31 -171.16 29.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -172.49 142.32 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.792 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.74 96.43 8.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 108.347 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 m -139.66 -174.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -90.22 102.4 15.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -170.95 127.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -178.77 138.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 4.8 mm-40 -140.27 124.59 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.244 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 14' ' ' GLU . 23.9 m-80 -161.22 143.3 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -139.53 146.1 46.59 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.99 2.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.5 p -60.72 -27.68 68.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 6.2 p -108.25 110.18 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.06 89.03 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -82.21 156.79 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -79.87 119.65 77.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -16.88 19.87 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.0 148.75 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.941 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.71 175.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.54 -139.88 6.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.32 121.89 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.79 . . . . 0.0 109.359 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.96 144.6 55.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.7 p -123.3 -58.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -170.86 -177.56 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -119.11 173.54 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.1 p -121.84 12.16 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.7 148.06 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.81 178.59 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.73 131.77 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.29 39.48 5.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.32 138.88 45.54 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -102.73 138.24 39.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.68 -175.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -114.16 155.9 25.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.28 98.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.75 -6.57 5.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.6 1.188 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -90.07 -173.69 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.1 p -120.1 135.64 54.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.4 p90 -112.47 -13.77 13.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -167.46 -178.46 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -139.11 179.47 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.9 162.19 31.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' HD13 ' A' ' 54' ' ' ILE . 20.3 tt0 -120.2 116.32 25.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.23 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -136.03 138.18 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.87 39.96 23.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt 58.2 28.76 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtm -131.78 151.69 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.463 HD13 ' CG ' ' A' ' 49' ' ' GLU . 22.1 mm -100.77 130.13 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 17.0 ttt -134.14 141.09 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -76.42 148.42 37.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -111.55 112.5 24.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -92.87 174.67 7.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -102.39 151.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -71.62 -6.62 42.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 0.5 OUTLIER 163.93 155.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.261 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.11 151.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.94 160.79 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.24 130.59 34.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 45' ' ' TYR . 93.5 t -84.2 150.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.13 162.01 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -90.98 122.52 33.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mm -119.59 -70.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -88.61 135.11 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -59.87 148.1 77.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.83 5.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.54 1.49 8.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.94 175.42 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.277 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 1.8 p -93.73 116.01 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.23 155.08 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 122.3 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.67 54.54 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -129.21 171.5 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -99.61 138.93 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.59 -54.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.58 -178.61 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -109.18 157.89 18.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.253 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.98 115.98 21.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 0.0 109.369 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -100.13 93.9 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.1 mt -42.09 118.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -90.99 17.66 7.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -178.07 86.36 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.35 15.0 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.43 -63.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.68 124.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.8 t -146.91 140.44 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.64 154.49 37.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 72.81 4.58 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.44 -69.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.75 163.35 10.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.79 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -141.19 34.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.615 1.197 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.6 p -58.54 -18.01 26.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.045 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p 179.46 149.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.042 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.96 159.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.07 138.02 2.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -163.92 147.19 9.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 0.774 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -177.65 -61.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.052 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.61 131.58 2.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -129.55 175.61 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.602 0.825 . . . . 0.0 110.359 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.5 m -136.47 140.34 43.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.56 68.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 51.97 174.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -108.85 121.4 45.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.0 87.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -166.78 96.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.236 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -136.01 144.57 45.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.16 99.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.42 3.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.2 p -113.11 -39.67 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 p -94.32 118.44 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.377 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 1.9 mt -74.66 97.91 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -92.14 151.1 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 39.0 t -76.52 126.93 85.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.94 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.72 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 165.93 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.48 -142.26 7.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -156.13 110.79 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 tp -52.91 159.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -138.39 -62.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.78 -178.18 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -116.78 163.51 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 p -112.15 7.18 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -127.32 155.01 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.12 178.97 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 125.9 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.52 37.48 49.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.83 131.49 46.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -94.25 126.0 39.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 109.641 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.73 -175.7 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -117.38 156.42 27.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.37 101.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.375 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.87 -9.68 6.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -85.8 -173.66 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 p -119.81 136.89 54.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.4 p90 -115.85 -14.28 11.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . . . -171.95 -174.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.376 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.45 178.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.28 160.11 38.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' CG ' HD12 ' A' ' 54' ' ' ILE . 30.3 tt0 -117.53 114.69 23.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 144.59 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 52.19 44.77 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.14 34.07 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -138.55 147.47 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.471 HD12 ' CG ' ' A' ' 49' ' ' GLU . 20.1 mm -97.1 132.88 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.9 ttm -136.54 140.07 42.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.75 151.0 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 110.406 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -112.22 131.92 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.39 169.43 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -95.1 144.51 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.8 tm0? -70.98 -17.65 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.5 mt-10 -175.42 149.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -36.04 148.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.46 160.01 8.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -85.36 134.29 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 0.717 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 45' ' ' TYR . 93.7 t -90.65 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 162.1 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.75 124.26 36.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.28 -60.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -89.0 124.63 34.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.77 148.65 3.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 119.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.03 23.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.35 176.66 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 2.1 p -91.13 114.26 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -84.9 119.51 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.4 152.12 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 116.73 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.25 54.3 3.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.73 173.24 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.29 145.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.29 -66.24 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.19 -175.64 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -113.59 146.24 40.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.06 111.18 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.04 97.54 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.1 mt -57.89 109.12 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.62 -9.15 58.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -149.69 97.26 3.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -19.59 17.61 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.8 t -176.66 140.59 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.083 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 75.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.6 p -82.51 138.18 19.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.9 105.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.627 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.45 14.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.87 91.9 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.09 155.95 27.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 158.11 42.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.446 1.761 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.0 p -115.41 164.05 14.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.4 p -162.02 143.74 11.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.414 1.071 . . . . 0.0 111.02 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -178.14 138.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.034 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -155.33 154.81 32.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.065 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.68 97.82 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.14 85.48 2.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.65 124.18 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.0 111.61 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.8 p -47.12 107.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.392 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.66 78.46 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -121.91 62.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' GLU . 3.6 t80 62.82 95.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' PHE . 7.6 mt-10 38.78 90.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -144.3 90.14 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' OE2' ' NH2' ' A' ' 21' ' ' ARG . 2.8 mt-10 -135.14 122.16 21.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.184 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -138.64 132.21 30.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.374 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.07 84.62 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -2.48 12.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -105.82 43.96 1.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.423 1.077 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p -130.65 120.89 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -87.39 91.02 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 3.8 mtt85 -87.51 150.94 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -78.6 138.87 58.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.61 11.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 m -164.02 153.86 14.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.38 170.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.75 -137.99 5.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.79 115.1 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -64.35 158.13 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.7 p -138.45 -57.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -178.46 173.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.0 p90 -102.81 166.65 10.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 p -113.28 8.53 18.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.443 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.5 m -124.66 157.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -179.93 7.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.8 125.14 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.03 35.89 65.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.02 131.02 44.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -102.1 108.88 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 109.567 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -112.51 -175.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -110.22 156.16 21.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.46 93.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.31 -15.03 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -80.58 -174.31 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.7 p -119.28 136.44 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.6 p90 -115.04 -15.63 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' A' ' 45' ' ' TYR . . . -163.95 -173.01 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -142.64 179.52 6.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -157.24 157.47 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -119.77 113.48 20.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.36 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.48 143.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.1 mmm 53.42 35.67 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.09 26.27 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -129.19 136.85 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.0 mm -90.68 121.58 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 63.8 mtt -122.72 139.89 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -76.86 146.48 37.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.94 139.77 39.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 168.65 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 m -92.4 143.91 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.22 -19.54 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' OE2' ' CD2' ' A' ' 86' ' ' LEU . 10.5 tt0 173.11 149.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.49 139.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.27 -142.65 7.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -132.4 125.08 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.5 t -85.18 138.9 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.53 161.95 29.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -92.91 115.83 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.4 mm -112.63 -71.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -81.51 121.33 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.01 148.04 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.603 1.19 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.47 4.92 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.08 5.36 9.7 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 176.24 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 2.5 p -93.21 116.14 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.25 128.38 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -125.95 148.76 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.89 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.61 47.9 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -125.33 172.64 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.0 p -88.07 145.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.05 -62.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.89 -173.84 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.67 151.61 28.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -125.07 120.04 30.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.69 91.88 5.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 92.4 mt -65.17 115.43 5.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -72.84 -6.94 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -151.8 93.73 3.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.36 22.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.1 t 47.36 89.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.66 84.79 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.3 t -105.5 -50.04 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 93' ' ' HIS . 5.4 t-80 39.95 72.41 1.01 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.63 12.44 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.503 1.791 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.57 162.67 13.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.45 166.11 35.21 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 120.84 6.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.3 p -87.22 157.15 19.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.2 117.29 34.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -150.02 154.39 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.8 144.43 16.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.6 1.187 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.49 -176.88 38.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.17 160.5 15.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 0.746 . . . . 0.0 110.067 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -173.13 108.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.7 52.72 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 p -114.46 138.8 50.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.9 t -54.08 -62.14 1.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 108.22 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t 50.28 68.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 3.9 p90 -48.75 130.85 18.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.37 172.49 4.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 122.79 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' OE1' ' CD2' ' A' ' 93' ' ' HIS . 3.2 mt-10 -143.81 167.24 22.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -80.76 137.81 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.97 92.08 0.45 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.32 3.62 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.589 1.837 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 p -112.15 -7.56 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.06 118.64 54.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.85 90.95 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -77.69 159.36 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.5 t -86.93 115.71 63.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -12.94 21.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.461 1.769 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 154.43 13.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 150.08 47.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.44 -148.57 6.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.13 107.32 4.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.791 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.11 135.28 53.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -115.01 -65.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -164.45 -175.86 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -115.02 179.04 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 p -128.55 6.16 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.52 158.39 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 179.36 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.22 125.29 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.52 62.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.69 131.48 52.07 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CD2' ' OD2' ' A' ' 87' ' ' ASP . 7.2 t-80 -102.11 127.54 48.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' HG11 ' A' ' 59' ' ' VAL . 28.0 m -133.4 -177.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -111.23 155.11 23.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.95 106.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.29 -32.22 3.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.09 167.59 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 p -106.91 131.58 53.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.7 p90 -114.57 -21.87 10.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -159.19 -178.55 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -138.64 -178.95 5.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.7 ptm -159.94 152.15 20.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' HD13 ' A' ' 54' ' ' ILE . 25.6 tt0 -111.53 113.71 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.36 146.17 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 mmt 54.63 30.45 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.15 11.66 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.5 mtt -117.0 153.94 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.463 HD13 ' CG ' ' A' ' 49' ' ' GLU . 24.4 mm -97.45 132.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.8 mtt -130.28 139.51 50.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.21 145.45 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -111.67 123.18 49.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -107.99 168.24 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 39' ' ' VAL . 16.8 m -92.42 130.89 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.2 mm-40 -59.6 -32.21 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 41.2 mt-10 -157.06 133.2 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' GLU . 6.2 ptm180 -36.29 151.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.15 -138.78 5.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -136.65 120.39 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.804 . . . . 0.0 110.283 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 66' ' ' LYS . 59.4 t -83.65 146.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -138.57 162.09 35.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.52 115.64 24.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.8 mm -112.88 -68.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 131.69 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.0 146.31 15.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.95 5.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 2.73 10.98 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.39 176.37 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.7 116.35 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.44 136.05 36.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.171 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -133.54 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.66 131.39 49.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.67 59.66 7.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.08 173.21 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -96.45 145.0 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.5 -66.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.29 -179.4 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 143.95 39.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.3 109.52 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 93.42 9.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 mt -44.04 117.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.509 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 6.3 p30 -91.0 -9.04 47.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -136.48 74.58 53.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 176.43 9.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.34 -63.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -80.94 78.09 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.2 t -107.79 84.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.388 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.478 ' CD2' ' OE1' ' A' ' 14' ' ' GLU . 10.4 m170 64.28 152.52 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.58 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.4 Cg_endo -74.95 156.09 43.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER 164.66 127.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -146.16 157.69 27.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 166.78 28.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -104.82 132.4 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.6 m -56.56 111.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.07 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -159.11 164.08 35.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 109.953 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m 66.1 148.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.1 85.2 1.71 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.71 161.3 20.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.725 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.71 94.43 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.64 -107.21 3.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.602 1.189 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -163.62 130.06 3.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.781 . . . . 0.0 110.425 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.44 124.34 27.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.067 . . . . 0.0 108.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 65.9 t -88.63 89.61 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 51.88 94.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -169.59 152.77 4.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -87.65 149.31 24.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.91 147.35 26.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -156.45 150.93 25.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.96 125.75 0.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -27.26 10.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.551 1.816 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' LEU . 33.7 p -58.79 -47.48 84.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.8 101.24 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -74.1 86.41 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 159.04 31.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 25.8 t -79.41 116.22 58.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.937 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.6 20.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 152.68 22.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 167.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.6 -152.15 21.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -146.33 110.4 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -54.73 149.95 10.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -128.29 -72.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -158.29 -174.32 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.83 168.15 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.478 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 67.7 p -121.29 6.67 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.6 m -125.81 163.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.8 179.68 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 124.4 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.85 75.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.93 126.73 39.25 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 63' ' ' GLY . 8.7 t-160 -103.29 120.39 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -132.45 176.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -103.13 155.83 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.42 108.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.57 -31.52 3.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.37 163.87 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 0.721 . . . . 0.0 109.977 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.72 130.62 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.989 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 29.2 p90 -114.11 -11.71 12.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . . . -162.15 178.17 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' OE2' ' CG2' ' A' ' 32' ' ' THR . 2.9 mt-10 -135.53 179.74 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.92 150.02 13.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -109.74 112.95 25.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.51 148.12 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.8 mmm 50.6 41.08 25.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 60.23 18.34 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtt -122.39 152.41 40.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mm -101.67 104.27 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.7 mtt -102.9 140.15 37.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.74 150.47 24.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 mt -112.32 129.88 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -118.52 166.55 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 45' ' ' TYR . 33.1 m -90.7 131.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 61' ' ' GLU . 50.4 mm-40 -63.16 -32.65 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 9.1 mm-40 -147.88 131.74 17.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -36.59 150.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . 163.46 -147.42 13.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -127.22 125.47 41.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.397 0.704 . . . . 0.0 110.278 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' CG1' ' CD1' ' A' ' 45' ' ' TYR . 97.5 t -83.97 136.64 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.67 160.91 32.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.61 116.24 23.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mm -110.6 -65.75 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -93.65 146.98 23.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 148.39 98.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 120.49 6.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.98 -4.84 10.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.42 1.075 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.41 165.1 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.01 104.18 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -63.06 121.02 12.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -121.17 150.64 40.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.16 122.34 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.66 56.62 4.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.83 173.44 11.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 p -93.14 144.19 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.27 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.06 -179.19 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.0 166.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' THR . 3.0 tm? -140.46 105.65 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -87.94 92.68 9.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.6 mt -48.3 132.19 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.46 -0.35 32.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -146.16 74.44 13.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.77 5.77 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.556 1.819 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.1 t -135.0 -69.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 64.55 79.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.7 t -146.89 128.72 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -45.12 103.82 0.36 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.652 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.56 41.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.57 89.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.914 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.5 -163.46 24.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.28 39.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.7 t -128.57 111.46 13.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.4 p -89.51 131.86 35.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.938 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m 58.84 163.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 110.054 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.61 -58.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.42 -176.98 2.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -179.03 113.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -125.22 131.7 53.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.85 -168.48 22.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -170.4 162.8 8.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 0.728 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.04 152.63 30.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 108.269 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.19 122.4 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -48.32 112.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.51 163.55 27.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt 65.32 127.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -130.58 171.1 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 27.7 t30 77.41 -65.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.25 93.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -1.14 10.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.3 p -108.02 32.63 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.44 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -117.05 120.2 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.19 89.23 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.46 161.88 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -79.56 115.21 51.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -10.17 21.17 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.6 m -167.83 153.25 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 175.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 152.43 -137.12 5.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -170.38 123.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.48 158.1 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -139.11 -59.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -162.74 -177.77 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.8 167.32 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -114.73 5.59 15.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.8 m -134.9 160.84 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -179.74 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 130.05 11.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.76 53.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.49 133.5 47.79 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -104.8 126.24 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' HG11 ' A' ' 59' ' ' VAL . 18.8 m -133.1 177.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.55 156.1 17.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.77 92.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -21.76 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -67.64 -173.84 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.746 . . . . 0.0 110.038 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -118.21 132.18 56.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 3.4 p90 -118.76 -9.47 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . . . -172.13 -177.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.39 172.49 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.86 160.1 43.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 47.7 tt0 -117.26 122.18 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 p -143.01 142.09 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 50.84 43.63 28.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt 59.49 19.77 8.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.1 mtm -124.32 146.16 48.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.455 HD13 ' CG ' ' A' ' 49' ' ' GLU . 11.4 mm -97.63 129.47 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.92 140.3 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.4 149.04 30.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -115.16 105.27 12.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.7 p30 -94.7 166.91 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.432 HG11 ' CG2' ' A' ' 39' ' ' VAL . 4.5 m -88.94 139.75 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -26.78 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 26.3 mt-10 -154.43 126.78 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' GLU . 5.6 ptm180 -36.85 151.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.441 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 155.26 -139.96 7.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -122.97 129.03 51.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.501 ' CG1' ' CD1' ' A' ' 45' ' ' TYR . 96.6 t -90.51 139.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.67 144.17 47.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.37 115.84 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -96.76 -60.65 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -88.38 145.48 25.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.31 157.72 69.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.2 -5.79 6.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.112 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.68 164.74 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 0.734 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -89.38 136.34 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.407 HD12 ' CG2' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -101.34 117.12 34.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -123.01 154.23 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.36 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.28 128.28 35.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.69 58.45 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -136.84 173.81 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 p -95.99 147.46 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' HD12 ' A' ' 75' ' ' LEU . 85.1 t -133.18 -55.88 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.09 167.8 28.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 163.32 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 0.4 OUTLIER -114.67 143.7 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.08 95.7 4.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.2 mt -50.54 126.74 16.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -92.09 -5.88 51.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.345 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -146.02 90.28 5.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -170.77 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 t -75.24 -63.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -125.18 -140.74 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 t 54.83 88.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.59 154.61 76.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.647 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 80.72 2.36 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.808 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.1 p -114.9 151.52 33.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.87 -127.86 6.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 159.22 41.45 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.386 1.73 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.94 156.06 4.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.085 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.93 161.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 111.011 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.44 155.85 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 110.027 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p -110.74 141.31 44.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.071 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.77 -159.78 8.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.48 164.67 17.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.25 98.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.51 -122.61 7.31 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.12 165.13 12.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 110.441 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.36 75.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.344 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -117.44 92.07 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -92.76 148.11 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 51.31 82.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.26 141.08 35.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.96 153.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 46.66 89.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -152.21 93.94 3.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 54.28 3.57 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.57 1.826 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.404 ' HB ' ' NH2' ' A' ' 83' ' ' ARG . 52.0 p -114.6 -15.53 11.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.464 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -114.75 113.42 43.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 3.1 mt -74.71 87.93 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -78.09 147.23 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 13.6 t -74.32 134.56 76.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -21.76 15.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 165.28 4.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 172.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.11 -131.37 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLU . 64.8 tttt -162.41 115.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.1 158.06 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -132.76 -64.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -171.77 167.43 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -93.5 159.08 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 p -104.88 -3.23 23.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -117.44 158.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -179.98 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.3 117.58 3.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.87 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.91 142.57 43.86 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -114.21 116.92 29.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -119.42 168.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.11 157.75 16.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.17 100.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.31 -13.56 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.3 m -85.41 -174.73 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.052 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -121.47 134.94 55.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.0 p90 -116.22 -15.1 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 45' ' ' TYR . . . -166.21 -178.81 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -139.0 -179.39 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.01 154.88 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' LYS . 35.8 tt0 -114.97 116.44 28.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 145.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.5 mmm 53.53 27.4 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.42 13.61 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.3 mtp -119.48 139.83 51.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mm -88.13 131.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.1 mtp -131.01 138.87 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.6 150.67 28.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mt -113.13 125.91 54.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 p30 -115.41 167.34 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.79 133.51 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.85 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' ARG . 23.0 mt-10 -148.0 131.67 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.02 152.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 84' ' ' LEU . . . 163.29 172.87 31.31 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -92.81 119.99 32.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.391 0.701 . . . . 0.0 110.304 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -84.15 139.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 162.07 32.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.9 121.59 28.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.32 -69.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.381 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -89.19 144.02 26.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.236 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.23 147.4 91.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 123.48 7.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.39 6.15 27.58 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.83 174.21 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 0.729 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -93.3 102.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -63.14 148.92 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -142.41 151.05 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.7 130.26 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.28 57.86 13.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.76 173.05 12.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.54 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -121.3 -68.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.45 -175.25 3.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.404 ' NH2' ' HB ' ' A' ' 18' ' ' THR . 17.6 tpt180 -109.86 143.77 39.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -122.63 111.57 16.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -100.85 101.45 12.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.336 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.8 mt -48.0 113.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.28 -2.6 57.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -141.69 76.69 20.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -5.18 16.44 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.4 t -115.47 108.04 15.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -147.63 111.3 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 91' ' ' LYS . 55.1 t -40.22 129.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -93.23 160.53 33.18 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.605 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 91.31 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.78 137.18 47.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.75 155.13 14.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.77 108.85 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.34 -34.22 15.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.391 1.057 . . . . 0.0 110.987 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -145.05 168.4 20.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -120.48 155.39 33.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.14 129.52 1.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 m -150.54 168.05 25.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -115.86 140.08 49.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.52 -161.34 14.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -136.68 139.47 42.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.461 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.14 115.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 108.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.6 m -138.81 149.69 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -123.62 173.73 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -146.86 97.89 2.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -94.13 109.32 21.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -179.62 119.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -145.59 133.89 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.13 104.95 1.0 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.12 9.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 p -96.7 46.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.89 113.8 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -84.61 87.55 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -80.02 159.61 26.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 t -90.31 131.9 37.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.43 10.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.493 1.786 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 m -160.78 158.73 29.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 168.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.44 -138.12 4.81 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -162.33 106.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 tp -53.76 158.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.5 p -141.51 -53.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -175.22 166.54 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.32 136.37 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -73.24 -18.03 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.2 m -105.23 164.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -101.46 179.76 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.68 123.68 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.69 26.87 74.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -51.28 137.26 29.7 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.409 ' CD2' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -111.26 108.4 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.561 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.404 HG21 ' CG1' ' A' ' 59' ' ' VAL . 13.7 m -117.41 -177.14 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -118.15 155.76 29.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 100.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.2 -19.21 6.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 4.6 m -75.3 -176.09 2.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 p -119.01 131.46 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.979 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.3 p90 -117.0 -12.89 10.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 45' ' ' TYR . . . -164.57 -175.5 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -144.97 177.72 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 ptm -155.03 161.02 41.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -121.28 96.91 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 51' ' ' MET . 4.8 p -115.34 142.3 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.417 ' N ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER 53.74 36.16 23.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.19 12.8 8.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -115.87 140.06 49.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -89.06 127.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.5 ttm -126.78 140.97 51.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.02 147.85 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -112.91 117.68 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.2 p30 -106.96 166.86 10.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.404 ' CG1' HG21 ' A' ' 39' ' ' VAL . 22.0 m -90.44 139.83 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 3.8 mt-30 -68.49 -25.68 65.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 28.4 mt-10 -160.79 138.86 9.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.66 146.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.64 -164.41 35.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG3' ' CD2' ' A' ' 38' ' ' HIS . 18.8 mtm-85 -112.97 122.54 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 0.803 . . . . 0.0 110.24 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 45' ' ' TYR . 83.5 t -85.35 131.29 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -122.63 162.07 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.19 122.47 29.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.4 mm -118.43 -76.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.91 134.34 35.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -54.62 152.16 13.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.0 17.29 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.38 22.25 17.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.37 176.52 7.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 7.2 p -94.38 104.64 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.83 140.06 49.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -138.15 155.67 48.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 137.28 57.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.51 58.19 15.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 p -97.28 139.67 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -121.17 -64.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.2 -176.69 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.07 153.41 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -120.31 104.46 10.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -96.08 91.89 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.4 mt -49.77 135.84 18.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 5.9 p-10 -92.27 36.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.375 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.92 83.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 176.0 10.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -130.69 83.05 2.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 59.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.4 p -117.44 145.9 22.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.0 90.94 50.21 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.63 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.567 1.825 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.5 p -142.41 77.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.53 -139.75 1.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 66.02 6.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 m -61.43 141.81 57.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.051 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.8 p -173.18 152.87 2.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 p 178.72 151.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.012 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.71 151.76 1.92 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.21 158.71 21.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.02 143.2 51.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 110.055 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.29 108.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.1 105.2 0.46 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.588 1.18 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -154.33 -59.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m 64.25 109.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 108.227 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.464 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 34.5 m -56.26 146.41 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.18 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' CG ' ' O ' ' A' ' 10' ' ' VAL . 9.2 m-85 -171.76 111.18 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 111.033 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.03 136.9 54.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -161.45 73.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 58.54 -174.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -140.68 126.61 19.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.573 1.171 . . . . 0.0 109.398 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -56.49 148.1 46.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -8.02 19.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.8 p -99.75 28.21 4.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -130.82 143.26 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -114.5 101.01 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -95.16 162.32 13.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.0 t -84.88 125.19 71.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.13 17.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.0 153.01 19.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.78 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.73 9.27 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.79 114.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 0.831 . . . . 0.0 109.241 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -63.74 138.9 58.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.1 p -113.46 -68.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -170.1 177.12 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -95.4 170.89 9.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -129.82 16.43 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.477 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m -131.32 155.38 41.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 177.13 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.31 128.63 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.61 39.03 65.08 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.01 127.89 41.42 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -104.91 142.66 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.579 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -155.5 -178.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.24 162.36 14.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.95 93.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.32 -25.03 0.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 44' ' ' SER . 15.4 t -79.58 -176.59 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.462 ' N ' ' OG ' ' A' ' 43' ' ' SER . 0.9 OUTLIER -118.14 133.06 56.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p90 -115.25 -17.94 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 45' ' ' TYR . . . -158.67 -176.26 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.88 172.72 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -149.81 160.66 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.77 106.18 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.0 p -130.11 140.25 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.93 36.95 27.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp 65.07 14.08 9.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.88 134.03 55.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.55 115.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.0 tpt -111.14 140.61 45.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.67 146.69 30.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -107.65 118.19 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -103.95 166.82 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.8 m -98.3 129.54 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -33.46 74.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ARG . 6.1 mm-40 -146.81 134.53 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' GLU . 7.5 ptp180 -36.1 153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 152.06 167.15 14.82 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -85.57 130.72 34.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.34 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 45' ' ' TYR . 95.1 t -84.0 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' N ' HG13 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -130.23 161.19 31.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.48 122.13 33.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.0 mm -115.42 -66.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -92.99 146.33 23.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.87 151.89 88.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 120.66 6.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.45 7.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.08 161.18 24.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.99 98.07 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.78 129.72 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.07 152.31 48.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.13 122.53 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.49 56.55 6.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 m -128.96 172.49 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.34 134.22 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -118.18 -57.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.386 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.33 171.48 16.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -112.43 144.97 40.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.228 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.464 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 3.2 tm? -96.39 135.32 38.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -121.5 92.13 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.5 mt -53.25 112.27 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -68.56 -9.67 50.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.43 103.97 0.12 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 48.28 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -171.46 94.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -159.25 111.03 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.2 m -104.85 154.64 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -104.41 153.52 39.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.621 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.59 13.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.59 145.7 12.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.085 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.96 157.61 8.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 83.84 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.4 p -64.03 121.93 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 t 65.88 150.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -125.85 152.51 45.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 110.075 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.99 137.67 51.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.42 -163.4 9.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.28 115.25 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 109.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -171.72 108.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 123.84 0.05 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -123.4 5.77 9.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.64 75.59 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 108.314 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 p -151.19 124.89 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.366 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 41.16 88.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -108.14 95.88 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -142.17 70.9 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -111.86 160.77 17.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.403 1.064 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -151.9 146.14 25.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.57 132.78 0.51 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.75 15.59 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.9 p -67.51 -46.07 73.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.4 117.37 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.29 101.88 5.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -92.01 134.49 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -60.14 131.25 89.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.56 9.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.608 1.846 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -163.62 163.42 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 177.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.54 -139.84 6.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.69 100.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -42.91 159.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.4 p -132.79 -61.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -178.92 166.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD1' ' CZ ' ' A' ' 67' ' ' TYR . 21.0 m-85 -90.93 162.51 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.9 p -111.53 -5.25 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.3 m -117.79 167.1 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.89 179.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.26 127.16 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.56 38.07 34.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.25 129.91 50.26 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.38 114.68 26.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.751 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 m -120.46 169.37 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -104.11 153.66 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.22 92.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 109.316 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.49 -22.75 2.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 m -76.65 -175.26 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.082 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.2 p -122.36 134.67 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.2 p90 -118.38 -10.41 10.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -171.05 -176.59 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -147.31 173.47 12.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.89 163.79 37.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' CG ' HD12 ' A' ' 54' ' ' ILE . 45.1 tt0 -120.46 113.31 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.05 138.14 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.03 35.84 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt 66.11 14.72 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.8 mtp -121.49 145.34 48.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.462 HD12 ' CG ' ' A' ' 49' ' ' GLU . 6.9 mm -97.86 123.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -119.98 140.93 50.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -80.21 148.76 30.71 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.566 1.166 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.43 116.53 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.7 OUTLIER -109.96 166.56 10.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.8 m -97.61 130.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.4 ' OE1' ' ND2' ' A' ' 58' ' ' ASN . 3.1 mp0 -69.55 -33.82 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -136.94 125.01 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.08 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.32 -158.88 31.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -120.22 124.6 46.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 45' ' ' TYR . 91.0 t -84.54 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.31 161.57 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CZ ' ' CD1' ' A' ' 31' ' ' TYR . 2.9 m-85 -89.74 116.19 27.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -110.0 -68.27 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -89.87 125.8 35.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.69 153.53 4.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 125.65 9.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.22 10.65 10.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.06 165.18 19.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 p -91.5 108.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.92 132.89 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -132.28 152.83 51.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.18 139.54 57.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.38 61.59 6.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.77 -176.04 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 p -103.92 137.09 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -117.33 -65.49 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.87 -179.15 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.67 149.21 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 mt -126.18 114.85 18.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.16 95.93 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.3 mt -44.28 124.09 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -88.58 -7.69 56.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -139.03 69.8 41.97 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 48.11 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.463 1.77 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 t -158.92 127.98 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.71 87.02 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 p -124.38 172.17 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 93' ' ' HIS . 33.1 p80 -109.56 100.35 41.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 176.21 10.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.72 109.89 8.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.062 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.4 120.64 6.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 163.95 34.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -112.77 171.27 7.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.9 p -138.05 166.99 22.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -147.65 141.91 26.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 0.722 . . . . 0.0 110.074 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -154.87 168.54 26.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -66.59 2.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m 56.27 171.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.75 155.68 26.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.96 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.91 -164.76 8.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -93.32 137.03 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.06 96.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 108.289 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.55 145.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -108.88 154.63 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -175.17 114.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.22 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -157.94 100.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.14 78.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.573 1.171 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 62.4 123.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 176.93 112.19 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -2.29 12.35 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -79.82 -31.65 40.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 8.7 p -106.28 105.12 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.2 mt -73.84 92.16 2.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -91.22 144.6 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.323 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t -50.73 106.83 0.69 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.45 160.71 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.42 155.73 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.29 -143.33 7.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.38 113.63 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.232 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -56.15 132.86 51.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -109.18 -65.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -174.85 171.55 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -100.35 145.95 27.54 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.41 1.069 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 p -93.08 -15.52 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.25 162.99 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 173.6 7.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.92 122.24 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.17 33.44 64.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.418 1.074 . . . . 0.0 111.045 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.22 130.51 51.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -110.14 131.61 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 109.596 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -153.38 -177.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' O ' ' OG ' ' A' ' 43' ' ' SER . 15.9 pt-20 -113.23 152.85 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.3 110.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.72 -31.69 3.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -66.61 156.01 36.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 0.784 . . . . 0.0 109.984 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p -98.54 132.02 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.93 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.538 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 4.4 p90 -114.84 -17.82 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB3' ' CD1' ' A' ' 45' ' ' TYR . . . -158.89 174.75 14.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -144.3 -179.0 6.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.93 171.48 12.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -126.18 112.44 15.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.21 141.0 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.5 mtm 58.59 29.6 18.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.28 22.67 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -130.54 123.5 29.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 54' ' ' ILE . 1.7 mp -76.08 120.44 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ttm -118.22 146.18 44.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.2 m -92.31 151.71 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.64 125.26 51.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -116.77 165.04 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.41 135.39 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -30.34 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.1 mm-40 -141.53 125.24 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' GLU . 3.8 ptt180 -36.12 150.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.63 1.206 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.24 -150.18 14.96 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' N ' HD22 ' A' ' 84' ' ' LEU . 1.3 mtt180 -127.74 120.0 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 45' ' ' TYR . 48.0 t -87.2 141.12 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -139.52 162.08 35.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.86 132.14 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 mt -134.79 -47.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -107.3 123.08 47.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.387 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 146.05 28.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 129.43 12.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.59 -0.34 13.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.08 161.35 22.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p -86.57 129.35 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 125.77 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 150.95 41.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 127.64 32.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.31 53.63 6.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.86 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 p -101.98 150.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 t -129.43 -63.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.93 -177.52 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -118.05 146.11 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 64' ' ' ARG . 2.3 tm? -112.34 108.23 17.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -91.25 94.01 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -41.69 134.01 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -94.08 32.47 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 t0 172.36 83.14 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.416 1.073 . . . . 0.0 109.222 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.88 10.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -179.75 42.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -78.09 -4.95 49.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.23 -42.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.4 t60 77.49 79.75 0.13 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.579 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -43.71 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.572 1.827 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.0 m -46.55 159.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.97 158.92 7.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.77 168.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.0 112.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 66.5 136.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -176.03 152.48 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.8 109.69 0.26 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -105.9 147.95 28.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 p -178.15 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.4 161.62 5.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -162.62 173.1 14.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 0.743 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.64 161.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -171.41 117.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.49 178.22 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -99.77 92.6 5.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -72.0 166.03 23.03 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -72.39 151.72 42.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -139.03 142.92 38.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -130.31 163.32 48.74 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -17.48 19.68 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.3 p -70.71 -46.49 62.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.36 112.26 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.79 90.09 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -80.71 161.18 24.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 24' ' ' SER . 11.5 t -80.37 119.34 76.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -15.96 20.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.402 ' O ' ' OG ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -163.22 156.08 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 166.85 3.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.1 -152.74 21.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -148.23 109.12 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -51.85 149.78 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 p -130.43 -62.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -173.74 160.69 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -84.29 170.4 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 p -120.06 -0.67 10.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.34 160.29 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.91 179.62 7.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.01 129.31 17.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.47 33.91 41.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.31 129.32 48.98 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.41 121.4 37.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.598 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 59' ' ' VAL . 15.9 m -124.48 171.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -111.99 153.65 26.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.94 110.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.0 -23.63 6.51 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.2 m -74.52 -179.39 4.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.49 133.48 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 3.6 p90 -120.15 -7.75 9.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.54 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -172.0 176.72 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -139.25 179.82 6.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.0 ptm -158.19 144.22 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -97.67 103.62 15.57 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.98 138.51 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mmt 54.26 45.12 27.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 56.57 24.82 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.348 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 144.92 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -92.32 115.53 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 ttt -108.19 140.91 40.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.84 143.75 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -110.54 116.19 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.1 p30 -109.18 163.04 13.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.423 ' CG1' HG23 ' A' ' 39' ' ' VAL . 18.1 m -88.73 135.74 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 1.8 tt0 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' ARG . 76.2 mm-40 -152.36 132.35 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' GLU . 3.1 ptt180 -36.86 154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.5 -142.6 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' N ' HD21 ' A' ' 84' ' ' LEU . 20.9 mtm-85 -130.82 125.55 33.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.52 HG13 ' CD1' ' A' ' 45' ' ' TYR . 75.5 t -84.43 129.4 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 160.9 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.192 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -83.74 119.79 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.1 mm -115.44 -60.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -102.35 148.23 25.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -72.57 149.96 91.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.95 12.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.83 9.43 24.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.8 169.23 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.4 p -91.33 101.75 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.82 135.59 52.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.68 152.8 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 129.13 39.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.14 58.58 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.0 175.85 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.38 145.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -124.75 -56.95 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.78 177.89 8.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 170.1 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 64' ' ' ARG . 2.8 tm? -134.52 116.64 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.82 93.8 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 mt -44.17 118.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -102.88 15.46 29.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -164.36 67.93 1.45 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.79 8.1 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 t 41.36 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.069 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.69 75.95 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.236 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -132.82 119.88 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -80.31 154.14 74.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.618 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -58.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.4 p -159.85 166.29 30.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.42 -150.27 14.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.67 43.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 t -111.79 99.15 7.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.27 -58.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -129.2 153.75 47.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.9 166.9 3.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.39 -175.54 17.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -167.93 165.53 13.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 110.031 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m 60.53 151.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.96 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 -60.59 0.61 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 m -44.84 126.24 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -119.84 96.84 5.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 108.237 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -42.86 152.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.79 141.36 51.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.29 150.8 33.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttp 64.3 66.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.79 105.31 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -142.15 -65.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 51.26 98.39 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.19 9.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -108.53 39.65 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 p -129.36 127.49 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD21 ' CE2' ' A' ' 45' ' ' TYR . 4.1 mt -90.43 86.86 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -81.24 167.46 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -91.42 119.29 68.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.09 18.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.558 1.82 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.3 158.27 26.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.11 168.37 5.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.46 -139.08 5.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -164.89 109.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.81 151.84 7.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 p -133.58 -54.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -169.11 -177.28 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -115.4 168.89 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -116.98 10.2 13.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.73 153.46 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.85 179.76 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -45.16 126.91 6.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.48 37.74 19.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.39 135.15 51.6 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 39' ' ' VAL . 1.6 t-160 -102.21 134.46 45.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.561 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 29.2 m -139.77 -178.41 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -98.63 158.16 15.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.75 106.0 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.52 -32.85 3.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -58.07 161.02 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.8 p -93.96 133.13 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD1' HG11 ' A' ' 65' ' ' VAL . 7.7 p90 -114.56 -22.72 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB1' ' CE1' ' A' ' 45' ' ' TYR . . . -156.94 -179.91 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -139.6 175.88 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -153.05 161.17 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -120.64 106.28 11.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 51' ' ' MET . 4.3 p -126.54 142.68 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.413 ' N ' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER 52.49 36.91 21.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt 67.1 10.14 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 54' ' ' ILE . 2.1 ttm -114.42 147.45 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 53' ' ' MET . 29.4 mm -98.0 126.46 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -120.94 139.44 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.5 147.21 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.66 121.59 44.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -106.4 162.87 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -88.62 136.42 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.5 mm100 -64.42 -29.05 70.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 45.2 mt-10 -158.51 131.33 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -37.13 155.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.08 -136.1 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -128.14 128.61 45.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 45' ' ' TYR . 72.0 t -89.71 131.5 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.45 141.79 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.86 122.91 29.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.91 -51.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -96.23 142.68 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 157.74 42.59 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.35 16.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.34 26.7 11.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.7 176.1 6.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 4.0 p -94.36 113.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.45 HD11 ' CG2' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -83.53 123.4 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -126.79 158.95 35.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.36 136.42 58.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.63 56.15 23.75 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.6 m -125.23 172.66 9.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.68 130.72 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 75' ' ' LEU . 71.9 t -119.36 -58.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.93 -177.88 6.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.64 147.74 50.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.96 143.2 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.06 95.43 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.4 mt -49.2 114.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -94.82 20.65 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -165.99 65.37 0.97 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -21.21 16.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.2 -56.43 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.6 90.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.45 145.2 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.67 153.72 72.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.7 t 56.56 99.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.03 158.11 28.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.629 1.206 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.74 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.4 p -58.56 149.72 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -113.53 -57.76 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.157 . . . . 0.0 110.917 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -153.51 128.04 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 0.809 . . . . 0.0 109.981 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -161.9 169.57 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.4 -123.95 1.02 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.078 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 71.29 141.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.962 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.02 166.08 17.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.055 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.01 -85.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 m 61.31 122.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 0.808 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.416 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 7.3 t -171.53 131.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 108.36 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 9' ' ' CYS . 12.5 m 45.98 -163.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -161.13 141.96 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -116.1 157.86 24.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -103.09 152.73 21.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.95 108.69 0.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -117.05 160.73 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.1 149.91 8.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.74 8.86 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.513 1.797 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 p -101.71 47.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 p -141.09 144.48 26.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.5 87.66 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 -93.34 163.8 13.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 t -84.99 123.72 73.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.2 15.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.53 154.97 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.957 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.0 149.1 50.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 -146.61 5.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -151.06 112.49 4.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.607 0.827 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -57.94 148.09 26.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.8 p -129.11 -60.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -177.57 161.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -83.53 166.5 18.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -120.28 -0.22 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.8 m -115.01 163.37 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.93 179.6 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.23 134.86 4.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.93 42.02 21.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.48 129.24 39.58 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 63' ' ' GLY . 40.2 t-80 -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.42 ' CG2' HG12 ' A' ' 59' ' ' VAL . 27.5 m -134.56 177.69 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.5 92.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.4 -15.7 2.5 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -79.95 -174.02 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -123.24 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p90 -114.96 -18.22 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -160.86 -175.84 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.8 178.84 7.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 ptm -161.45 145.66 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.29 104.02 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' MET . 1.5 p -135.35 153.52 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.377 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 53.76 26.24 5.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 73.05 5.98 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.42 ' CG ' ' O ' ' A' ' 50' ' ' VAL . 9.0 ptp -123.37 148.01 46.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.0 mm -84.66 109.03 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.55 139.74 34.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 55' ' ' MET . 0.6 OUTLIER -80.78 148.24 30.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mt -111.18 121.03 44.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' SER . 44.5 m-20 -105.89 164.79 11.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' CG2' ' A' ' 39' ' ' VAL . 23.1 m -88.18 141.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.507 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 2.1 mp0 -67.22 -26.78 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 46.9 mt-10 -159.52 135.42 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.38 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . 159.45 -142.4 8.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -131.51 139.01 49.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG22 ' CG ' ' A' ' 45' ' ' TYR . 70.9 t -89.46 136.45 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -126.64 160.3 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -87.98 114.85 24.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.2 mm -111.27 -60.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -101.05 149.74 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.35 147.7 95.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 125.75 9.51 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.449 1.763 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.05 22.25 6.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.01 169.73 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 9.2 p -86.62 103.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.16 115.74 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.17 154.51 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 132.0 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.95 59.05 10.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -132.2 172.83 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.8 p -97.14 140.45 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.9 t -126.59 -61.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.0 178.51 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.388 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 146.29 44.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -105.82 135.98 46.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -126.25 94.47 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.4 mt -45.78 143.03 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.49 -8.67 58.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.4 94.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -16.71 20.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 111.059 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -59.71 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.965 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -123.13 -141.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' CG2' ' NH2' ' A' ' 62' ' ' ARG . 2.5 p -173.69 141.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -62.41 117.97 35.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.675 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.98 25.85 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.53 153.02 12.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.74 120.75 0.72 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 125.95 9.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.6 p -123.27 145.85 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.65 -58.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -176.13 166.71 2.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 0.0 110.046 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -149.42 -59.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.989 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.08 152.76 29.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.429 1.081 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -163.01 141.42 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -167.43 158.1 11.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.04 116.25 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -164.62 152.93 12.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.472 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.05 58.31 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 108.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.7 t -101.37 152.54 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.66 147.2 25.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.65 77.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.32 75.05 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -147.34 78.12 1.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 60.0 107.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.4 88.0 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' CG ' ' OE1' ' A' ' 61' ' ' GLU . 18.5 Cg_endo -74.94 54.57 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' LEU . 66.3 p -111.78 -52.8 2.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.362 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.68 112.74 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -82.27 88.02 6.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -83.18 151.42 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.433 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 47.5 t -70.69 124.09 90.3 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -18.4 18.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.9 158.9 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.72 166.16 9.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.57 -137.92 4.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.43 106.5 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -51.9 150.03 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 30' ' ' GLN . 54.4 p -125.74 -71.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.447 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' OG1' ' A' ' 29' ' ' THR . 12.0 pt20 -168.95 178.34 4.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.08 152.91 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 p -98.52 -6.07 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -118.18 158.54 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -82.63 173.63 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.78 119.36 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' ARG . . . 64.16 34.53 90.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -65.97 130.15 32.91 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -91.65 142.98 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.642 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -147.51 178.63 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 10.6 pt-20 -116.25 -168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 62' ' ' ARG . . . -93.05 99.76 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.68 -10.44 3.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -90.26 -175.33 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.5 p -126.94 131.21 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.0 p90 -109.77 -17.77 13.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 45' ' ' TYR . . . -158.42 174.72 14.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -139.05 -179.64 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 ptm -156.6 167.67 29.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -129.24 99.52 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.5 p -124.36 139.63 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.33 29.35 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 70.33 9.42 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.3 mtt -115.52 133.7 55.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.7 mm -83.66 123.0 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' THR . 6.7 tpt -118.96 140.37 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' MET . 0.5 OUTLIER -84.02 150.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -114.12 108.23 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.052 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -100.83 169.73 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 40' ' ' GLU . 32.5 m -102.8 145.7 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -76.38 -22.86 54.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' OE1' ' CG ' ' A' ' 17' ' ' PRO . 45.7 mt-10 -152.87 136.39 15.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' GLU . 2.3 mtp180 -37.48 157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 150.84 164.28 11.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 36' ' ' GLY . 4.5 ttp180 -84.84 136.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG23 ' CG ' ' A' ' 45' ' ' TYR . 53.1 t -89.57 139.62 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -127.56 161.49 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.259 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.28 127.07 36.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.7 mm -116.14 -58.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.77 139.7 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.96 145.85 16.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.41 5.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 122.12 1.0 10.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.6 171.23 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.56 113.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.433 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -76.69 121.28 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.98 154.49 35.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.0 132.22 51.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.42 57.93 15.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -132.85 170.96 14.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -94.92 137.48 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.09 -55.93 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.91 177.13 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -115.26 159.85 20.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 1.4 tm? -124.36 126.47 46.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -109.03 93.56 4.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.0 mt -42.56 119.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.04 -9.01 59.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -145.8 88.94 6.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.46 20.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.582 1.833 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 t 61.93 141.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 110.017 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 42.4 84.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.3 t -114.03 72.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.52 ' O ' ' CG ' ' A' ' 93' ' ' HIS . 2.2 p-80 -173.28 89.51 0.38 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.627 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 148.21 34.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.76 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.06 165.89 11.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.44 133.31 10.84 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.18 11.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 123.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -88.03 137.66 32.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.422 1.076 . . . . 0.0 110.985 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 p -171.67 -58.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.24 154.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.53 -149.33 5.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.98 167.19 31.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 0.803 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -133.78 135.58 43.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.91 124.78 25.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.7 m -73.15 171.59 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 116.43 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.31 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.1 m -146.32 173.71 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -65.81 159.16 25.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.87 86.32 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.39 176.26 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.6 70.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -126.49 -67.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.68 106.77 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.24 13.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 83' ' ' ARG . 68.1 p -107.91 51.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 4.2 p -135.61 110.15 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -84.76 94.91 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -92.88 159.45 15.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.408 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 34.1 t -82.88 119.5 74.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -12.78 21.41 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.41 1.742 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 146.9 4.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 162.09 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.44 -139.34 5.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 119.78 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.265 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.8 154.8 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 p -136.07 -69.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -162.67 -175.91 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -111.21 172.22 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -120.19 6.48 10.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -123.41 167.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.66 179.91 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.41 131.7 3.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' O ' ' NE ' ' A' ' 64' ' ' ARG . . . 43.95 40.11 5.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.45 141.6 47.94 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -110.39 140.05 44.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.635 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.96 172.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -103.38 158.08 16.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.74 93.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.99 -20.28 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.565 1.166 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 15.0 t -78.68 -177.14 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 0.0 109.966 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' OG ' ' A' ' 43' ' ' SER . 27.2 p -119.11 133.33 55.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.2 p90 -118.12 -8.49 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' HB3' ' CD1' ' A' ' 45' ' ' TYR . . . -169.21 -176.57 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -142.76 -179.53 6.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.98 150.22 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.92 112.05 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 p -131.52 140.35 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.32 37.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.35 24.11 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.5 139.57 52.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.8 mm -92.78 116.12 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.376 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 mtp -115.71 139.44 50.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.132 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.31 145.54 30.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.47 131.12 54.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 5.2 p30 -116.1 166.06 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -88.97 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -71.38 -26.04 62.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' ARG . 35.7 mt-10 -155.72 129.35 8.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.47 148.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' HA3' ' CD1' ' A' ' 84' ' ' LEU . . . 160.69 -141.45 7.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 36' ' ' GLY . 7.2 mtt180 -129.89 131.52 46.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.49 HG23 ' CG ' ' A' ' 45' ' ' TYR . 70.6 t -83.96 143.58 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -134.5 161.98 33.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.13 126.35 35.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.4 mm -121.12 -70.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -90.1 133.71 34.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -53.56 148.39 18.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.576 1.83 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.92 6.02 23.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.62 176.84 8.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 0.733 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 1.3 p -97.18 114.03 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.408 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -74.62 111.6 9.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.47 149.34 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.168 . . . . 0.0 110.329 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 111.39 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.7 51.13 2.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.24 -171.98 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -106.23 146.87 12.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.1 t -123.64 -64.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.39 -176.82 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.458 ' CD ' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -120.86 143.59 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD1' ' HA3' ' A' ' 63' ' ' GLY . 1.0 OUTLIER -100.68 133.78 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -121.56 100.01 6.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.7 mt -67.05 109.81 3.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -79.71 -4.59 52.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.28 101.1 1.39 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.15 3.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -110.71 104.55 13.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 110.056 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -122.03 90.13 3.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 m -86.06 164.36 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 4.6 m80 -129.9 130.86 23.2 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.582 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 93' ' ' HIS . 18.2 Cg_endo -74.95 130.36 13.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.69 148.12 25.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 97' ' ' PRO . . . -73.18 -104.01 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 96' ' ' GLY . 18.3 Cg_endo -75.01 65.03 6.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.81 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.03 145.63 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.6 -58.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.046 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.667 HD21 HD12 ' A' ' 84' ' ' LEU . 9.0 mt -116.98 87.6 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -81.97 164.47 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.3 t -84.0 120.64 75.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.06 150.23 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.78 172.93 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.28 -134.5 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 109.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.553 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 tp -55.53 137.68 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 p -118.06 -66.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -161.77 -176.79 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -114.67 166.53 11.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -113.96 6.29 16.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.3 m -137.41 153.75 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.93 178.34 7.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.02 138.42 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.64 37.24 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.568 1.167 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -64.15 136.09 40.18 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -96.96 136.12 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 109.558 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -142.05 -176.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -103.26 156.37 17.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -63.51 98.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.58 -26.91 3.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.151 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.24 160.45 18.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 0.742 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -92.85 132.93 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.937 ' CD1' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -115.15 -17.12 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.582 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.4 178.4 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.0 -178.9 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -163.82 165.72 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 111.019 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 20.3 tt0 -123.6 117.19 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.42 144.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 50.08 37.5 14.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mttt 63.49 27.76 15.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.7 mtt -132.83 138.76 47.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 25.2 mm -92.78 118.81 39.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.7 ttm -115.86 140.88 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.45 150.91 29.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.6 119.3 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -108.71 163.02 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.664 ' HB ' HD11 ' A' ' 84' ' ' LEU . 27.5 m -89.64 139.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -71.61 -26.16 62.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 21.9 mt-10 -153.55 125.44 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.784 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 10.1 ptt-85 -35.9 153.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.453 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 162.27 -142.15 7.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 56.7 mtt180 -128.05 118.09 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.766 . . . . 0.0 110.222 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.937 HG11 ' CD1' ' A' ' 45' ' ' TYR . 57.5 t -85.57 141.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.677 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -143.85 138.36 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.75 126.32 32.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 83' ' ' ARG . 1.4 mt -112.46 -48.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.83 134.77 34.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.55 148.76 17.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.34 5.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.66 26.82 3.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.99 176.49 6.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -95.4 111.71 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -80.19 125.6 30.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.43 158.53 38.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.62 136.48 58.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.87 61.24 7.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -131.81 174.01 10.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.57 141.96 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.31 -58.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -153.05 159.38 42.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' HD3' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -108.12 154.06 22.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.071 . . . . 0.0 110.349 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.667 HD12 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -109.09 143.64 38.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.352 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.756 HD11 ' HG ' ' A' ' 84' ' ' LEU . 7.2 mt -103.56 86.16 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 6.1 mtt85 -85.4 153.86 22.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.585 ' HB2' HD11 ' A' ' 75' ' ' LEU . 36.4 t -84.21 136.77 40.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.936 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -17.24 19.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.63 153.49 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.39 172.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.99 -137.38 4.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -157.34 113.56 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 71' ' ' PRO . 19.8 tp -59.2 153.01 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.7 p -127.78 -62.23 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -168.52 176.92 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -107.03 138.48 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' ' 46' ' ' ALA . 41.9 p -84.72 -11.3 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.599 1.187 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.5 m -118.19 165.07 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.36 179.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -49.85 119.92 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.46 61.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.4 1.063 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -59.83 130.52 49.74 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -107.01 112.96 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 109.593 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -120.11 -179.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -112.23 155.37 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.804 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.31 93.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.87 -19.1 3.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -78.59 -174.17 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 p -120.77 134.96 55.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.828 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.6 p90 -118.09 -11.42 10.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HA ' HG23 ' A' ' 32' ' ' THR . . . -165.37 -174.7 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -141.96 178.6 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.5 156.95 26.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 24.4 tt0 -119.36 112.25 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.0 141.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 57.41 35.73 26.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 19.51 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.7 mtt -125.11 142.31 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 16.0 mm -92.81 125.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ttt -124.77 140.82 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.25 149.45 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.103 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.72 122.99 49.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 43' ' ' SER . 1.3 p-10 -115.45 166.86 11.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.668 ' HB ' HD11 ' A' ' 84' ' ' LEU . 27.7 m -94.63 143.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' C ' ' CG ' ' A' ' 61' ' ' GLU . 1.6 mt-30 -77.96 -23.63 48.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 15.8 mt-10 -153.16 123.14 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.804 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -36.18 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.6 -139.55 5.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 1.7 mtt85 -135.56 120.14 18.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.828 HG11 ' CD1' ' A' ' 45' ' ' TYR . 58.1 t -83.97 144.4 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.567 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -137.27 162.05 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.31 128.59 34.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.418 HG22 ' HG2' ' A' ' 69' ' ' LYS . 3.1 mm -126.36 -69.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' HG22 ' A' ' 68' ' ' ILE . 4.1 mmmt -91.7 131.91 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.11 148.26 41.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.659 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 129.1 12.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.423 1.749 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.44 1.58 23.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.89 176.64 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.58 105.75 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.44 131.47 45.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.78 152.4 43.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 120.32 11.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 55.41 5.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.5 m -129.27 172.31 11.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.42 140.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.7 t -119.97 -54.6 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -152.77 -176.72 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.83 148.26 35.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.756 ' HG ' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -124.03 114.56 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -86.97 90.05 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -81.63 165.86 20.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.465 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 2.4 t -84.04 114.17 52.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.95 18.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.36 154.75 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.051 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 171.54 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.454 ' CA ' ' HB ' ' A' ' 50' ' ' VAL . . . 160.44 -140.45 6.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -158.12 121.83 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 75' ' ' LEU . 15.5 tp -64.91 153.52 40.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.5 p -130.22 -69.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -166.06 170.05 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -100.62 164.6 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.2 p -120.51 4.59 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -120.72 158.19 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.63 173.17 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.62 130.0 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.58 37.05 32.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 129.44 43.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -94.42 127.69 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.652 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.74 175.55 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.22 155.94 19.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.631 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -65.8 94.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -13.03 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -82.81 -174.0 5.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HG22 ' A' ' 56' ' ' THR . 82.8 p -124.94 133.39 53.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.775 ' CB ' HG21 ' A' ' 65' ' ' VAL . 4.5 p90 -116.17 -10.79 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.39 176.57 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.67 177.96 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -157.27 163.54 38.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 35.2 tt0 -123.78 106.65 10.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' HB ' ' CA ' ' A' ' 26' ' ' GLY . 3.2 p -129.13 140.31 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.56 35.49 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp 64.33 20.35 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.1 mtt -124.14 140.48 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 32.3 mm -91.89 115.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.606 1.191 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.8 ttt -116.3 140.93 48.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.8 OUTLIER -83.07 146.05 28.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.454 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.81 124.83 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 43' ' ' SER . 3.6 p30 -116.91 168.82 9.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.583 HG23 ' HA ' ' A' ' 41' ' ' ALA . 17.2 m -98.01 143.44 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -80.58 -23.85 39.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ARG . 63.4 mm-40 -149.29 133.17 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.631 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -35.98 150.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.33 161.34 10.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 140.6 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.775 HG21 ' CB ' ' A' ' 45' ' ' TYR . 98.9 t -88.28 143.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.635 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -126.54 159.86 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.507 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.9 t80 -89.74 118.55 29.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.507 HD13 ' O ' ' A' ' 67' ' ' TYR . 22.4 mm -117.62 -72.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -89.59 133.93 34.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.097 . . . . 0.0 109.26 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.49 154.68 63.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 128.03 11.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.08 13.31 11.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.67 172.55 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.85 122.76 45.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -83.62 125.26 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.93 153.86 46.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.234 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.54 130.01 43.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.7 54.57 24.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 m -129.86 172.64 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.48 148.53 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.69 -51.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -155.45 -178.76 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 167.87 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.431 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.7 tm? -131.3 129.39 41.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.1 p . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.27 88.1 2.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -76.94 149.76 35.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -71.69 116.21 45.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.52 20.12 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.565 1.824 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' HE3' ' A' ' 48' ' ' MET . 16.5 m -163.38 153.21 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -179.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 154.7 -133.56 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -164.82 114.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.88 159.15 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.9 p -139.16 -62.2 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -167.46 -176.47 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -114.71 178.22 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -124.97 7.28 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.35 156.43 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -179.94 6.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.98 131.45 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.11 45.45 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 134.32 33.67 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -107.57 132.77 52.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.34 -175.96 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.82 155.8 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -63.8 93.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.07 -24.25 1.91 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -74.48 -176.02 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.396 0.704 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.5 p -118.94 130.23 55.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.702 ' CB ' HG21 ' A' ' 65' ' ' VAL . 5.8 p90 -111.41 -20.08 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -161.03 179.63 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -140.62 178.91 7.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.425 ' HE3' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -161.76 162.69 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 21.1 tt0 -120.94 118.93 31.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.226 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' MET . 3.1 p -135.2 138.36 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 49.4 43.19 23.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mttp 62.26 22.24 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -123.65 135.14 53.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mm -91.58 117.44 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.4 ttp -114.56 140.44 48.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.35 144.58 26.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.93 114.6 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -102.47 163.61 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.605 HG23 ' HA ' ' A' ' 41' ' ' ALA . 11.5 m -92.75 130.77 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -66.27 -33.04 74.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' ARG . 59.1 mm-40 -147.29 127.11 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.447 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.36 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 161.06 -145.96 11.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -120.61 124.65 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.702 HG21 ' CB ' ' A' ' 45' ' ' TYR . 99.5 t -86.15 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.677 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -141.78 143.68 33.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.96 121.99 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.481 ' HA ' HD13 ' A' ' 68' ' ' ILE . 17.6 mm -101.16 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -90.19 130.5 36.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -48.1 158.44 0.56 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.33 9.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.425 1.75 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.63 35.36 3.82 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.22 173.41 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 0.698 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.0 p -95.64 102.44 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.23 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -69.9 128.08 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.87 153.2 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.0 133.68 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.197 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.86 59.73 9.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -135.42 176.07 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.72 135.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -122.17 -58.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -156.55 165.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.4 166.96 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.208 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.528 HD11 ' HA3' ' A' ' 63' ' ' GLY . 3.5 tm? -124.05 128.58 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.2 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD11 ' HG ' ' A' ' 84' ' ' LEU . 4.0 mt -77.06 89.03 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -82.21 156.79 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.443 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 22.4 t -79.87 119.65 77.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -16.88 19.87 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.0 148.75 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.941 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.71 175.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.54 -139.88 6.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.916 ' HE2' HG23 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -159.32 121.89 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.79 . . . . 0.0 109.359 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.96 144.6 55.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.7 p -123.3 -58.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -170.86 -177.56 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -119.11 173.54 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.1 p -121.84 12.16 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.7 148.06 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.81 178.59 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.73 131.77 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.29 39.48 5.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.32 138.88 45.54 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -102.73 138.24 39.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.68 -175.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -114.16 155.9 25.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.599 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -66.28 98.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.75 -6.57 5.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.6 1.188 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -90.07 -173.69 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 56' ' ' THR . 40.1 p -120.1 135.64 54.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.889 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.4 p90 -112.47 -13.77 13.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -167.46 -178.46 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -139.11 179.47 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.9 162.19 31.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -120.2 116.32 25.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.23 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -136.03 138.18 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.87 39.96 23.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt 58.2 28.76 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtm -131.78 151.69 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.77 130.13 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 17.0 ttt -134.14 141.09 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 44' ' ' SER . 1.2 m -76.42 148.42 37.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -111.55 112.5 24.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -92.87 174.67 7.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.542 HG13 ' HD2' ' A' ' 45' ' ' TYR . 2.6 m -102.39 151.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -71.62 -6.62 42.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 0.5 OUTLIER 163.93 155.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.261 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.599 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.11 151.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.475 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 145.94 160.79 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.24 130.59 34.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' A' ' 45' ' ' TYR . 93.5 t -84.2 150.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.608 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -134.13 162.01 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -90.98 122.52 33.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mm -119.59 -70.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -88.61 135.11 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -59.87 148.1 77.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.83 5.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.54 1.49 8.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.94 175.42 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.277 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.916 HG23 ' HE2' ' A' ' 27' ' ' LYS . 1.8 p -93.73 116.01 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.23 155.08 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 122.3 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.67 54.54 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -129.21 171.5 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -99.61 138.93 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.59 -54.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -152.58 -178.61 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -109.18 157.89 18.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.253 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.491 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -124.98 115.98 21.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 0.0 109.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.623 HD11 ' HG ' ' A' ' 84' ' ' LEU . 1.9 mt -74.66 97.91 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -92.14 151.1 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 75' ' ' LEU . 39.0 t -76.52 126.93 85.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.94 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.72 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 165.93 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.48 -142.26 7.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' A' ' 74' ' ' VAL . 1.5 mttp -156.13 110.79 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 tp -52.91 159.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -138.39 -62.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.78 -178.18 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -116.78 163.51 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 p -112.15 7.18 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.1 m -127.32 155.01 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.12 178.97 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 125.9 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.52 37.48 49.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -61.83 131.49 46.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -94.25 126.0 39.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 109.641 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.73 -175.7 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -117.38 156.42 27.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.37 101.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.87 -9.68 6.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -85.8 -173.66 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 p -119.81 136.89 54.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.731 ' CB ' HG21 ' A' ' 65' ' ' VAL . 1.4 p90 -115.85 -14.28 11.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -171.95 -174.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.376 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.45 178.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.28 160.11 38.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -117.53 114.69 23.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 144.59 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 52.19 44.77 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.14 34.07 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -138.55 147.47 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 132.88 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.414 ' HG2' ' N ' ' A' ' 56' ' ' THR . 1.9 ttm -136.54 140.07 42.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.414 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.8 OUTLIER -77.75 151.0 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 110.406 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -112.22 131.92 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.39 169.43 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -95.1 144.51 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.8 tm0? -70.98 -17.65 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.5 mt-10 -175.42 149.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.465 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -36.04 148.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.477 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 149.46 160.01 8.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 15.7 mtp180 -85.36 134.29 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 0.717 . . . . 0.0 110.299 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.731 HG21 ' CB ' ' A' ' 45' ' ' TYR . 93.7 t -90.65 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.532 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -127.67 162.1 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.75 124.26 36.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.28 -60.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -89.0 124.63 34.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.77 148.65 3.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 119.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.03 23.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.35 176.66 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 74' ' ' VAL . 2.1 p -91.13 114.26 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.466 HD12 ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -84.9 119.51 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.4 152.12 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 116.73 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.25 54.3 3.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.73 173.24 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.29 145.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.29 -66.24 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -136.19 -175.64 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.406 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.7 tpp180 -113.59 146.24 40.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.06 111.18 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 19' ' ' VAL . 4.1 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.777 HD11 ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -87.39 91.02 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 3.8 mtt85 -87.51 150.94 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 27.2 t -78.6 138.87 58.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.61 11.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 m -164.02 153.86 14.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.38 170.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.75 -137.99 5.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -157.79 115.1 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB2' HD23 ' A' ' 75' ' ' LEU . 17.9 tp -64.35 158.13 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.7 p -138.45 -57.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -178.46 173.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.0 p90 -102.81 166.65 10.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 p -113.28 8.53 18.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.5 m -124.66 157.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -179.93 7.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.8 125.14 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.03 35.89 65.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.02 131.02 44.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -102.1 108.88 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 109.567 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -112.51 -175.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -110.22 156.16 21.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.868 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -65.46 93.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.31 -15.03 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -80.58 -174.31 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 56.7 p -119.28 136.44 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.858 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.6 p90 -115.04 -15.63 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.95 -173.01 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -142.64 179.52 6.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -157.24 157.47 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 22.1 tt0 -119.77 113.48 20.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.48 143.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.1 mmm 53.42 35.67 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.09 26.27 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -129.19 136.85 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 21.0 mm -90.68 121.58 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 63.8 mtt -122.72 139.89 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -76.86 146.48 37.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' SER . 3.7 mt -105.94 139.77 39.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 168.65 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 m -92.4 143.91 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.437 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.9 mt-30 -63.22 -19.54 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' ARG . 10.5 tt0 173.11 149.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.868 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.49 139.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.27 -142.65 7.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -132.4 125.08 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.858 HG21 ' CB ' ' A' ' 45' ' ' TYR . 83.5 t -85.18 138.9 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.707 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -129.53 161.95 29.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -92.91 115.83 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 67' ' ' TYR . 16.4 mm -112.63 -71.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -81.51 121.33 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.01 148.04 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.603 1.19 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.499 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 117.47 4.92 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.08 5.36 9.7 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 176.24 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 74' ' ' VAL . 2.5 p -93.21 116.14 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.661 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -77.25 128.38 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -125.95 148.76 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.89 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.61 47.9 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.7 m -125.33 172.64 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.0 p -88.07 145.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.05 -62.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -146.89 -173.84 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.67 151.61 28.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.777 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -125.07 120.04 30.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.646 ' HG ' HD12 ' A' ' 84' ' ' LEU . 1.3 mt -75.85 90.95 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -77.69 159.36 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.5 t -86.93 115.71 63.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -12.94 21.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.461 1.769 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' HE1' ' A' ' 48' ' ' MET . 0.1 OUTLIER -164.68 154.43 13.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 150.08 47.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.44 -148.57 6.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.13 107.32 4.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.791 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' HD23 ' A' ' 75' ' ' LEU . 14.3 tp -56.11 135.28 53.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -115.01 -65.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -164.45 -175.86 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -115.02 179.04 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 p -128.55 6.16 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.5 m -125.52 158.39 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 179.36 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.22 125.29 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.52 62.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.69 131.48 52.07 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -102.11 127.54 48.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' HG11 ' A' ' 59' ' ' VAL . 28.0 m -133.4 -177.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -111.23 155.11 23.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -57.95 106.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.29 -32.22 3.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -62.09 167.59 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 p -106.91 131.58 53.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.651 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.7 p90 -114.57 -21.87 10.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.651 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -159.19 -178.55 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -138.64 -178.95 5.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.444 ' HE1' ' O ' ' A' ' 24' ' ' SER . 14.7 ptm -159.94 152.15 20.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -111.53 113.71 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.36 146.17 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 mmt 54.63 30.45 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.15 11.66 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.5 mtt -117.0 153.94 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.4 mm -97.45 132.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.8 mtt -130.28 139.51 50.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.21 145.45 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -111.67 123.18 49.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' SER . 91.6 m-20 -107.99 168.24 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.536 ' HB ' HD11 ' A' ' 84' ' ' LEU . 16.8 m -92.42 130.89 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.2 mm-40 -59.6 -32.21 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 41.2 mt-10 -157.06 133.2 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.432 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 6.2 ptm180 -36.29 151.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.15 -138.78 5.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' H ' HD23 ' A' ' 84' ' ' LEU . 8.3 mtt180 -136.65 120.39 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.804 . . . . 0.0 110.283 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 45' ' ' TYR . 59.4 t -83.65 146.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.605 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -138.57 162.09 35.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.506 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -86.52 115.64 24.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 67' ' ' TYR . 14.8 mm -112.88 -68.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 131.69 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.0 146.31 15.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.95 5.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 2.73 10.98 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.39 176.37 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.7 116.35 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -80.44 136.05 36.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.171 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -133.54 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.66 131.39 49.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.67 59.66 7.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.08 173.21 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -96.45 145.0 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.5 -66.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -137.29 -179.4 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 143.95 39.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.646 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -126.3 109.52 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 19' ' ' VAL . 11.1 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -74.1 86.41 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 159.04 31.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 25.8 t -79.41 116.22 58.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.937 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.6 20.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 152.68 22.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 167.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.6 -152.15 21.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -146.33 110.4 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -54.73 149.95 10.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -128.29 -72.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -158.29 -174.32 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.83 168.15 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.478 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 67.7 p -121.29 6.67 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 45' ' ' TYR . 4.6 m -125.81 163.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.8 179.68 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 124.4 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.85 75.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -54.93 126.73 39.25 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -103.29 120.39 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.589 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -132.45 176.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -103.13 155.83 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -56.42 108.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.57 -31.52 3.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -65.37 163.87 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 0.721 . . . . 0.0 109.977 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.451 ' HB3' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -107.72 130.62 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.989 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' HG11 ' A' ' 65' ' ' VAL . 29.2 p90 -114.11 -11.71 12.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -162.15 178.17 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' OE2' ' CG2' ' A' ' 32' ' ' THR . 2.9 mt-10 -135.53 179.74 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.92 150.02 13.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -109.74 112.95 25.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.51 148.12 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.8 mmm 50.6 41.08 25.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 60.23 18.34 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtt -122.39 152.41 40.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mm -101.67 104.27 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.7 mtt -102.9 140.15 37.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -85.74 150.47 24.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 mt -112.32 129.88 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' SER . 3.1 p30 -118.52 166.55 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 41' ' ' ALA . 33.1 m -90.7 131.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 61' ' ' GLU . 50.4 mm-40 -63.16 -32.65 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 9.1 mm-40 -147.88 131.74 17.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.466 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -36.59 150.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' HIS . . . 163.46 -147.42 13.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 7.6 mtt-85 -127.22 125.47 41.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.397 0.704 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.818 HG11 ' CD1' ' A' ' 45' ' ' TYR . 97.5 t -83.97 136.64 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -130.67 160.91 32.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.61 116.24 23.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 80' ' ' VAL . 21.1 mm -110.6 -65.75 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.611 ' CG ' HG13 ' A' ' 80' ' ' VAL . 5.9 mmpt? -93.65 146.98 23.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 148.39 98.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 120.49 6.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.98 -4.84 10.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.42 1.075 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.41 165.1 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.01 104.18 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -63.06 121.02 12.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -121.17 150.64 40.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.16 122.34 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.66 56.62 4.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.83 173.44 11.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.611 HG13 ' CG ' ' A' ' 69' ' ' LYS . 13.6 p -93.14 144.19 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.27 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -148.06 -179.19 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.0 166.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -140.46 105.65 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.1 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD22 ' HE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -85.19 89.23 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -79.46 161.88 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.688 ' HB2' HD13 ' A' ' 75' ' ' LEU . 3.9 t -79.56 115.21 51.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -10.17 21.17 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.6 m -167.83 153.25 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 175.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 152.43 -137.12 5.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 75' ' ' LEU . 1.5 mttt -170.38 123.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.48 158.1 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -139.11 -59.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -162.74 -177.77 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.8 167.32 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -114.73 5.59 15.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.8 m -134.9 160.84 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -179.74 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 130.05 11.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.76 53.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.49 133.5 47.79 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.8 126.24 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.598 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG2' HG11 ' A' ' 59' ' ' VAL . 18.8 m -133.1 177.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.55 156.1 17.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.853 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -62.77 92.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -21.76 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -67.64 -173.84 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.746 . . . . 0.0 110.038 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -118.21 132.18 56.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.888 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.4 p90 -118.76 -9.47 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -172.13 -177.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.39 172.49 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.86 160.1 43.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 47.7 tt0 -117.26 122.18 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 p -143.01 142.09 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 50.84 43.63 28.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt 59.49 19.77 8.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.1 mtm -124.32 146.16 48.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.4 mm -97.63 129.47 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.92 140.3 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.4 149.04 30.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -115.16 105.27 12.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.7 p30 -94.7 166.91 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 39' ' ' VAL . 4.5 m -88.94 139.75 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -26.78 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 26.3 mt-10 -154.43 126.78 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.853 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 5.6 ptm180 -36.85 151.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.625 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 155.26 -139.96 7.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -122.97 129.03 51.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.888 HG11 ' CD1' ' A' ' 45' ' ' TYR . 96.6 t -90.51 139.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.673 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -134.67 144.17 47.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.37 115.84 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.846 HG22 ' HE2' ' A' ' 69' ' ' LYS . 17.6 mm -96.76 -60.65 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.846 ' HE2' HG22 ' A' ' 68' ' ' ILE . 7.0 mmpt? -88.38 145.48 25.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.31 157.72 69.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.2 -5.79 6.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.112 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.68 164.74 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 0.734 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -89.38 136.34 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.3 OUTLIER -101.34 117.12 34.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -123.01 154.23 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.36 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.28 128.28 35.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.69 58.45 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.3 m -136.84 173.81 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 p -95.99 147.46 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.18 -55.88 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -159.09 167.8 28.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 163.32 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -114.67 143.7 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.717 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.4 tt0 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.544 HD11 ' HG ' ' A' ' 84' ' ' LEU . 3.1 mt -74.71 87.93 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -78.09 147.23 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.437 ' OG ' HD12 ' A' ' 75' ' ' LEU . 13.6 t -74.32 134.56 76.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -74.99 -21.76 15.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 165.28 4.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 172.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.11 -131.37 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLU . 64.8 tttt -162.41 115.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 15.7 tp -64.1 158.06 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -132.76 -64.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -171.77 167.43 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -93.5 159.08 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 p -104.88 -3.23 23.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.3 m -117.44 158.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -179.98 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.3 117.58 3.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.87 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -57.91 142.57 43.86 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -114.21 116.92 29.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -119.42 168.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.11 157.75 16.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.17 100.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.31 -13.56 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.3 m -85.41 -174.73 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.052 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -121.47 134.94 55.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.0 p90 -116.22 -15.1 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -166.21 -178.81 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CD ' HG23 ' A' ' 56' ' ' THR . 6.2 mt-10 -139.0 -179.39 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.01 154.88 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' LYS . 35.8 tt0 -114.97 116.44 28.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 145.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.5 mmm 53.53 27.4 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.42 13.61 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.3 mtp -119.48 139.83 51.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mm -88.13 131.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.1 mtp -131.01 138.87 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -81.6 150.67 28.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mt -113.13 125.91 54.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 p30 -115.41 167.34 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.79 133.51 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.85 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' ARG . 23.0 mt-10 -148.0 131.67 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.02 152.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.507 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 163.29 172.87 31.31 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 71.5 mtt180 -92.81 119.99 32.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.391 0.701 . . . . 0.0 110.304 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 45' ' ' TYR . 84.2 t -84.15 139.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.606 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -132.89 162.07 32.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.9 121.59 28.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.32 -69.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.381 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -89.19 144.02 26.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.236 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.23 147.4 91.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.462 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.6 Cg_endo -74.97 123.48 7.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.39 6.15 27.58 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.83 174.21 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 0.729 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -93.3 102.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.14 148.92 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -142.41 151.05 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.7 130.26 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.28 57.86 13.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.76 173.05 12.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.54 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -121.3 -68.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -134.45 -175.25 3.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -109.86 143.77 39.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.544 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -122.63 111.57 16.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.336 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.0 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD11 ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -84.61 87.55 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -80.02 159.61 26.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 t -90.31 131.9 37.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.43 10.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.493 1.786 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' HE1' ' A' ' 48' ' ' MET . 74.7 m -160.78 158.73 29.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 168.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.44 -138.12 4.81 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -162.33 106.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.7 tp -53.76 158.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.5 p -141.51 -53.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -175.22 166.54 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.32 136.37 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -73.24 -18.03 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 45' ' ' TYR . 6.2 m -105.23 164.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -101.46 179.76 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.68 123.68 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.69 26.87 74.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -51.28 137.26 29.7 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.26 108.4 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.561 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 33' ' ' VAL . 13.7 m -117.41 -177.14 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -118.15 155.76 29.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -61.25 100.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.2 -19.21 6.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 4.6 m -75.3 -176.09 2.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 p -119.01 131.46 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.979 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.729 ' CD1' HG11 ' A' ' 65' ' ' VAL . 2.3 p90 -117.0 -12.89 10.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -164.57 -175.5 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -144.97 177.72 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE1' ' O ' ' A' ' 24' ' ' SER . 13.0 ptm -155.03 161.02 41.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.5 tt0 -121.28 96.91 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -115.34 142.3 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 53.74 36.16 23.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.19 12.8 8.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -115.87 140.06 49.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 43.2 mm -89.06 127.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.5 ttm -126.78 140.97 51.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.02 147.85 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -112.91 117.68 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.2 p30 -106.96 166.86 10.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 m -90.44 139.83 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 3.8 mt-30 -68.49 -25.68 65.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 28.4 mt-10 -160.79 138.86 9.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.63 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.66 146.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.64 -164.41 35.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 18.8 mtm-85 -112.97 122.54 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 0.803 . . . . 0.0 110.24 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.729 HG11 ' CD1' ' A' ' 45' ' ' TYR . 83.5 t -85.35 131.29 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.547 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 ttpm? -122.63 162.07 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.555 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -85.19 122.47 29.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 67' ' ' TYR . 28.4 mm -118.43 -76.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.91 134.34 35.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -54.62 152.16 13.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.0 17.29 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.38 22.25 17.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.37 176.52 7.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 74' ' ' VAL . 7.2 p -94.38 104.64 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -71.83 140.06 49.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.236 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -138.15 155.67 48.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 137.28 57.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.51 58.19 15.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 p -97.28 139.67 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -121.17 -64.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -139.2 -176.69 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.07 153.41 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.65 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -120.31 104.46 10.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.659 HG23 ' HD3' ' A' ' 83' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -114.5 101.01 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -95.16 162.32 13.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 31.0 t -84.88 125.19 71.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.13 17.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.0 153.01 19.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.78 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.73 9.27 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.79 114.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 0.831 . . . . 0.0 109.241 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.63 ' HB2' HD23 ' A' ' 75' ' ' LEU . 17.7 tp -63.74 138.9 58.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.1 p -113.46 -68.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -170.1 177.12 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -95.4 170.89 9.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -129.82 16.43 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.477 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m -131.32 155.38 41.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 177.13 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.31 128.63 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.61 39.03 65.08 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -62.01 127.89 41.42 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.556 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.8 t-80 -104.91 142.66 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 38' ' ' HIS . 2.8 m -155.5 -178.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.24 162.36 14.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . . . -67.95 93.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.32 -25.03 0.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 44' ' ' SER . 15.4 t -79.58 -176.59 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.72 ' HB2' HG22 ' A' ' 56' ' ' THR . 0.9 OUTLIER -118.14 133.06 56.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.89 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.3 p90 -115.25 -17.94 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.529 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.67 -176.26 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.88 172.72 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -149.81 160.66 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' OE1' HD11 ' A' ' 54' ' ' ILE . 40.0 tt0 -119.77 106.18 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.0 p -130.11 140.25 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.93 36.95 27.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp 65.07 14.08 9.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.88 134.03 55.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.519 HD11 ' OE1' ' A' ' 49' ' ' GLU . 25.6 mm -89.55 115.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.0 tpt -111.14 140.61 45.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.6 OUTLIER -80.67 146.69 30.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 57' ' ' LEU . 7.0 mt -107.65 118.19 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -103.95 166.82 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 41' ' ' ALA . 24.8 m -98.3 129.54 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -33.46 74.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.711 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 6.1 mm-40 -146.81 134.53 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' GLU . 7.5 ptp180 -36.1 153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.641 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.06 167.15 14.82 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 6.1 mtt180 -85.57 130.72 34.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.89 HG21 ' HB2' ' A' ' 45' ' ' TYR . 95.1 t -84.0 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.483 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -130.23 161.19 31.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.48 122.13 33.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.0 mm -115.42 -66.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -92.99 146.33 23.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.87 151.89 88.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 120.66 6.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.45 7.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.08 161.18 24.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 74' ' ' VAL . 7.7 p -80.99 98.07 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.78 129.72 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.07 152.31 48.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.13 122.53 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.49 56.55 6.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 m -128.96 172.49 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.34 134.22 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 75' ' ' LEU . 48.5 t -118.18 -57.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -149.33 171.48 16.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.659 ' HD3' HG23 ' A' ' 19' ' ' VAL . 5.7 mmt85 -112.43 144.97 40.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.641 HD11 ' HA3' ' A' ' 63' ' ' GLY . 3.2 tm? -96.39 135.32 38.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.446 ' N ' HD13 ' A' ' 84' ' ' LEU . 9.2 tt0 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.0 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.29 101.88 5.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 23.6 mtt-85 -92.01 134.49 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -60.14 131.25 89.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.56 9.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.608 1.846 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -163.62 163.42 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 177.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.54 -139.84 6.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.69 100.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' A' ' 75' ' ' LEU . 34.2 tp -42.91 159.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.4 p -132.79 -61.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -178.92 166.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD1' ' CZ ' ' A' ' 67' ' ' TYR . 21.0 m-85 -90.93 162.51 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 46' ' ' ALA . 45.9 p -111.53 -5.25 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.641 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.3 m -117.79 167.1 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.89 179.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.26 127.16 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.56 38.07 34.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.25 129.91 50.26 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.38 114.68 26.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.751 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.48 ' CG1' HG11 ' A' ' 33' ' ' VAL . 12.1 m -120.46 169.37 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -104.11 153.66 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -62.22 92.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 109.316 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.49 -22.75 2.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 m -76.65 -175.26 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.082 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.2 p -122.36 134.67 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.868 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.2 p90 -118.38 -10.41 10.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 32' ' ' THR . . . -171.05 -176.59 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -147.31 173.47 12.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.89 163.79 37.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 45.1 tt0 -120.46 113.31 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.05 138.14 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.03 35.84 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt 66.11 14.72 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.8 mtp -121.49 145.34 48.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 6.9 mm -97.86 123.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -119.98 140.93 50.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -80.21 148.76 30.71 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.566 1.166 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.43 116.53 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 3.0 p30 -109.96 166.56 10.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 41' ' ' ALA . 11.8 m -97.61 130.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.4 ' NE2' ' OD1' ' A' ' 58' ' ' ASN . 2.3 mp0 -69.55 -33.82 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -136.94 125.01 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.542 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.08 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.53 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 165.32 -158.88 31.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -120.22 124.6 46.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.868 HG11 ' CD1' ' A' ' 45' ' ' TYR . 91.0 t -84.54 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.582 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -128.31 161.57 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CZ ' ' CD1' ' A' ' 31' ' ' TYR . 2.9 m-85 -89.74 116.19 27.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -110.0 -68.27 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -89.87 125.8 35.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.69 153.53 4.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 125.65 9.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.22 10.65 10.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.06 165.18 19.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 p -91.5 108.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -69.92 132.89 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -132.28 152.83 51.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.18 139.54 57.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.38 61.59 6.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -134.77 -176.04 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 p -103.92 137.09 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -117.33 -65.49 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -144.87 -179.15 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.67 149.21 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.53 HD22 ' HA3' ' A' ' 63' ' ' GLY . 1.3 mt -126.18 114.85 18.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.7 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 45' ' ' TYR . 30.2 mt -73.84 92.16 2.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -91.22 144.6 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.323 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.624 ' HB2' HD13 ' A' ' 75' ' ' LEU . 9.5 t -50.73 106.83 0.69 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.45 160.71 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.42 155.73 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.29 -143.33 7.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.38 113.63 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.232 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' HD23 ' A' ' 75' ' ' LEU . 19.5 tp -56.15 132.86 51.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -109.18 -65.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -174.85 171.55 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -100.35 145.95 27.54 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.41 1.069 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 p -93.08 -15.52 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.595 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.7 m -108.25 162.99 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 173.6 7.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.92 122.24 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.17 33.44 64.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.418 1.074 . . . . 0.0 111.045 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -58.22 130.51 51.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.407 ' C ' HG13 ' A' ' 39' ' ' VAL . 20.2 t-80 -110.14 131.61 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.407 HG13 ' C ' ' A' ' 38' ' ' HIS . 27.8 m -153.38 -177.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -113.23 152.85 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.656 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -49.3 110.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.72 -31.69 3.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.61 156.01 36.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 0.784 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p -98.54 132.02 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.93 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.677 ' CD1' HG11 ' A' ' 65' ' ' VAL . 4.4 p90 -114.84 -17.82 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.89 174.75 14.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 56' ' ' THR . 15.0 mt-10 -144.3 -179.0 6.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.93 171.48 12.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.594 ' OE2' HD11 ' A' ' 54' ' ' ILE . 30.8 tt0 -126.18 112.44 15.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.21 141.0 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.5 mtm 58.59 29.6 18.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.28 22.67 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -130.54 123.5 29.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 54' ' ' ILE . 1.7 mp -76.08 120.44 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ttm -118.22 146.18 44.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' HG2' ' A' ' 47' ' ' GLU . 14.2 m -92.31 151.71 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.64 125.26 51.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -116.77 165.04 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 41' ' ' ALA . 33.4 m -90.41 135.39 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -30.34 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.1 mm-40 -141.53 125.24 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.459 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 3.8 ptt180 -36.12 150.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.63 1.206 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.24 -150.18 14.96 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 1.3 mtt180 -127.74 120.0 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 45' ' ' TYR . 48.0 t -87.2 141.12 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 14.7 tttt -139.52 162.08 35.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.86 132.14 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 mt -134.79 -47.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -107.3 123.08 47.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.387 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 146.05 28.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 129.43 12.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.59 -0.34 13.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.08 161.35 22.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p -86.57 129.35 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.624 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.3 OUTLIER -84.4 125.77 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 150.95 41.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 127.64 32.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.31 53.63 6.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.86 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 p -101.98 150.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 t -129.43 -63.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -140.93 -177.52 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -118.05 146.11 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -112.34 108.23 17.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.79 90.09 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -80.71 161.18 24.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 11.5 t -80.37 119.34 76.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -15.96 20.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' HE1' ' A' ' 48' ' ' MET . 0.4 OUTLIER -163.22 156.08 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 166.85 3.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.1 -152.74 21.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -148.23 109.12 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.0 tp -51.85 149.78 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 p -130.43 -62.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -173.74 160.69 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -84.29 170.4 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 p -120.06 -0.67 10.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.2 m -121.34 160.29 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.91 179.62 7.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.01 129.31 17.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.47 33.91 41.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.31 129.32 48.98 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.41 121.4 37.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.598 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG2' HG11 ' A' ' 59' ' ' VAL . 15.9 m -124.48 171.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -111.99 153.65 26.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . . . -56.94 110.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.0 -23.63 6.51 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.2 m -74.52 -179.39 4.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.652 ' HB2' HG22 ' A' ' 56' ' ' THR . 0.9 OUTLIER -122.49 133.48 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.644 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.6 p90 -120.15 -7.75 9.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.0 176.72 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -139.25 179.82 6.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.465 ' HE1' ' O ' ' A' ' 24' ' ' SER . 15.0 ptm -158.19 144.22 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -97.67 103.62 15.57 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.98 138.51 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mmt 54.26 45.12 27.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 56.57 24.82 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.348 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 144.92 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -92.32 115.53 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 ttt -108.19 140.91 40.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.4 OUTLIER -82.84 143.75 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -110.54 116.19 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.1 p30 -109.18 163.04 13.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' A' ' 39' ' ' VAL . 18.1 m -88.73 135.74 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 1.8 tt0 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 76.2 mm-40 -152.36 132.35 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' GLU . 3.1 ptt180 -36.86 154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.42 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 159.5 -142.6 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -130.82 125.55 33.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 110.354 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.644 HG11 ' CD1' ' A' ' 45' ' ' TYR . 75.5 t -84.43 129.4 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -122.32 160.9 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.192 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.8 t80 -83.74 119.79 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 67' ' ' TYR . 19.1 mm -115.44 -60.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -102.35 148.23 25.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -72.57 149.96 91.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.95 12.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.83 9.43 24.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.8 169.23 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.4 p -91.33 101.75 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.82 135.59 52.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.68 152.8 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 129.13 39.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.14 58.58 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.0 175.85 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.38 145.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -124.75 -56.95 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -145.78 177.89 8.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 170.1 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.42 HD11 ' HA3' ' A' ' 63' ' ' GLY . 2.8 tm? -134.52 116.64 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG23 ' HD3' ' A' ' 83' ' ' ARG . 11.6 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 84' ' ' LEU . 4.1 mt -90.43 86.86 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -81.24 167.46 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -91.42 119.29 68.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.09 18.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.558 1.82 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.3 158.27 26.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.11 168.37 5.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.46 -139.08 5.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -164.89 109.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.81 151.84 7.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 p -133.58 -54.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -169.11 -177.28 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -115.4 168.89 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -116.98 10.2 13.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.5 m -135.73 153.46 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.85 179.76 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -45.16 126.91 6.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.48 37.74 19.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.39 135.15 51.6 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 63' ' ' GLY . 0.2 OUTLIER -102.21 134.46 45.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.561 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -139.77 -178.41 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -98.63 158.16 15.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.772 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -63.75 106.0 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.52 -32.85 3.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -58.07 161.02 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.8 p -93.96 133.13 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.757 ' CD1' HG11 ' A' ' 65' ' ' VAL . 7.7 p90 -114.56 -22.72 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.618 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -156.94 -179.91 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -139.6 175.88 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -153.05 161.17 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 25.2 tt0 -120.64 106.28 11.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.54 142.68 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 52.49 36.91 21.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt 67.1 10.14 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 54' ' ' ILE . 2.1 ttm -114.42 147.45 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 53' ' ' MET . 29.4 mm -98.0 126.46 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -120.94 139.44 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.5 147.21 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.66 121.59 44.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -106.4 162.87 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -88.62 136.42 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.5 mm100 -64.42 -29.05 70.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 45.2 mt-10 -158.51 131.33 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.772 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -37.13 155.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.08 -136.1 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -128.14 128.61 45.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.757 HG11 ' CD1' ' A' ' 45' ' ' TYR . 72.0 t -89.71 131.5 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.735 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -127.45 141.79 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.86 122.91 29.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.91 -51.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -96.23 142.68 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 157.74 42.59 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.35 16.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.34 26.7 11.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.7 176.1 6.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.0 p -94.36 113.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.467 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -83.53 123.4 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -126.79 158.95 35.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.36 136.42 58.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.63 56.15 23.75 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.6 m -125.23 172.66 9.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.68 130.72 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -119.36 -58.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.735 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -150.93 -177.88 6.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.552 ' HD3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -128.64 147.74 50.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -103.96 143.2 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.667 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.5 87.66 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 24.5 mtt180 -93.34 163.8 13.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 t -84.99 123.72 73.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.2 15.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.53 154.97 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.957 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.0 149.1 50.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 -146.61 5.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -151.06 112.49 4.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.607 0.827 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 21.1 tp -57.94 148.09 26.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.8 p -129.11 -60.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -177.57 161.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -83.53 166.5 18.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -120.28 -0.22 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.8 m -115.01 163.37 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.93 179.6 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.23 134.86 4.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.93 42.02 21.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -63.48 129.24 39.58 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.615 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.56 177.69 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -68.5 92.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.4 -15.7 2.5 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -79.95 -174.02 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 56' ' ' THR . 3.4 p -123.24 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.982 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.1 p90 -114.96 -18.22 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.588 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -160.86 -175.84 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.8 178.84 7.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 75' ' ' LEU . 18.0 ptm -161.45 145.66 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.29 104.02 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' MET . 1.5 p -135.35 153.52 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.377 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 53.76 26.24 5.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 73.05 5.98 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.42 ' CG ' ' O ' ' A' ' 50' ' ' VAL . 9.0 ptp -123.37 148.01 46.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.0 mm -84.66 109.03 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.55 139.74 34.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 55' ' ' MET . 0.6 OUTLIER -80.78 148.24 30.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 57' ' ' LEU . 6.3 mt -111.18 121.03 44.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' SER . 44.5 m-20 -105.89 164.79 11.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.1 m -88.18 141.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.371 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.507 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 2.1 mp0 -67.22 -26.78 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 46.9 mt-10 -159.52 135.42 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.455 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.38 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.445 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 159.45 -142.4 8.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 5.4 mtt180 -131.51 139.01 49.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.982 HG21 ' HB2' ' A' ' 45' ' ' TYR . 70.9 t -89.46 136.45 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 6.0 mmtt -126.64 160.3 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.5 t80 -87.98 114.85 24.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.418 HD13 ' O ' ' A' ' 67' ' ' TYR . 19.2 mm -111.27 -60.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.05 149.74 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.35 147.7 95.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.03 125.75 9.51 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.449 1.763 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.05 22.25 6.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.01 169.73 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 74' ' ' VAL . 9.2 p -86.62 103.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -68.16 115.74 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.17 154.51 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 132.0 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.95 59.05 10.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.7 m -132.2 172.83 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.8 p -97.14 140.45 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.9 t -126.59 -61.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -139.0 178.51 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.388 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 146.29 44.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 85' ' ' GLU . 1.2 tm? -105.82 135.98 46.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' HD13 ' A' ' 84' ' ' LEU . 8.1 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 HD23 ' A' ' 84' ' ' LEU . 16.4 mt -82.27 88.02 6.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -83.18 151.42 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.433 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 47.5 t -70.69 124.09 90.3 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -18.4 18.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.9 158.9 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.72 166.16 9.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.57 -137.92 4.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.43 106.5 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.796 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 tp -51.9 150.03 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 30' ' ' GLN . 54.4 p -125.74 -71.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.447 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' OG1' ' A' ' 29' ' ' THR . 12.0 pt20 -168.95 178.34 4.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.08 152.91 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 p -98.52 -6.07 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.437 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.8 m -118.18 158.54 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -82.63 173.63 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.78 119.36 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' ARG . . . 64.16 34.53 90.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -65.97 130.15 32.91 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -91.65 142.98 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.642 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -147.51 178.63 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 10.6 pt-20 -116.25 -168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 62' ' ' ARG . . . -93.05 99.76 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.68 -10.44 3.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -90.26 -175.33 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.567 ' HB2' HG22 ' A' ' 56' ' ' THR . 59.5 p -126.94 131.21 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.962 ' CB ' HG21 ' A' ' 65' ' ' VAL . 2.0 p90 -109.77 -17.77 13.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.42 174.72 14.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -139.05 -179.64 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 ptm -156.6 167.67 29.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.9 tt0 -129.24 99.52 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.5 p -124.36 139.63 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.33 29.35 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 70.33 9.42 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.3 mtt -115.52 133.7 55.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 25.7 mm -83.66 123.0 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' THR . 6.7 tpt -118.96 140.37 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.5 OUTLIER -84.02 150.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -114.12 108.23 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.052 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -100.83 169.73 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 40' ' ' GLU . 32.5 m -102.8 145.7 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -76.38 -22.86 54.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ARG . 45.7 mt-10 -152.87 136.39 15.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' GLU . 2.3 mtp180 -37.48 157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.75 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 150.84 164.28 11.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 36' ' ' GLY . 4.5 ttp180 -84.84 136.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.962 HG21 ' CB ' ' A' ' 45' ' ' TYR . 53.1 t -89.57 139.62 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 16.1 tttt -127.56 161.49 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.28 127.07 36.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.574 HG22 ' HG2' ' A' ' 69' ' ' LYS . 29.7 mm -116.14 -58.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG2' HG22 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -108.77 139.7 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.96 145.85 16.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.41 5.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 122.12 1.0 10.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.6 171.23 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 74' ' ' VAL . 8.2 p -86.56 113.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.69 121.28 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.98 154.49 35.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.0 132.22 51.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.42 57.93 15.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -132.85 170.96 14.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -94.92 137.48 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.09 -55.93 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -148.91 177.13 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -115.26 159.85 20.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.75 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.4 tm? -124.36 126.47 46.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.584 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.3 tp10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 19' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -84.76 94.91 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -92.88 159.45 15.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 34.1 t -82.88 119.5 74.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -12.78 21.41 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.41 1.742 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 146.9 4.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 162.09 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.44 -139.34 5.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HE3' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -155.9 119.78 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.265 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 75' ' ' LEU . 16.3 tp -63.8 154.8 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 p -136.07 -69.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -162.67 -175.91 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -111.21 172.22 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -120.19 6.48 10.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.0 m -123.41 167.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.66 179.91 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.41 131.7 3.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.445 ' O ' ' NE ' ' A' ' 64' ' ' ARG . . . 43.95 40.11 5.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -61.45 141.6 47.94 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -110.39 140.05 44.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.635 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.96 172.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -103.38 158.08 16.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.479 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.74 93.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.99 -20.28 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.565 1.166 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 15.0 t -78.68 -177.14 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 0.0 109.966 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.476 ' HB2' HG22 ' A' ' 56' ' ' THR . 27.2 p -119.11 133.33 55.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.853 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.2 p90 -118.12 -8.49 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -169.21 -176.57 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -142.76 -179.53 6.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.98 150.22 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 36.1 tt0 -107.92 112.05 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 p -131.52 140.35 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.32 37.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.35 24.11 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.5 139.57 52.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 40.8 mm -92.78 116.12 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 mtp -115.71 139.44 50.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.132 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.6 OUTLIER -81.31 145.54 30.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.47 131.12 54.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 5.2 p30 -116.1 166.06 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -88.97 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -71.38 -26.04 62.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' ARG . 35.7 mt-10 -155.72 129.35 8.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.479 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.47 148.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.646 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 160.69 -141.45 7.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 36' ' ' GLY . 7.2 mtt180 -129.89 131.52 46.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.853 HG21 ' CB ' ' A' ' 45' ' ' TYR . 70.6 t -83.96 143.58 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.668 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 2.1 tttt -134.5 161.98 33.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.13 126.35 35.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.4 mm -121.12 -70.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -90.1 133.71 34.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -53.56 148.39 18.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.576 1.83 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.92 6.02 23.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.62 176.84 8.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 0.733 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 1.3 p -97.18 114.03 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -74.62 111.6 9.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.47 149.34 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.168 . . . . 0.0 110.329 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 111.39 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.7 51.13 2.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.24 -171.98 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -106.23 146.87 12.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.1 t -123.64 -64.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.668 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -142.39 -176.82 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.86 143.59 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.0 OUTLIER -100.68 133.78 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.512 ' N ' HD13 ' A' ' 84' ' ' LEU . 14.2 tt0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -174.84 102.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.756 . . . . 0.0 109.971 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 p -70.19 -58.69 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.51 150.0 7.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.58 1.175 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -172.56 157.97 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.984 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -164.6 163.59 21.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.48 -176.67 40.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.4 p -100.0 159.96 14.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -123.07 85.84 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 108.306 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 63.5 t -112.09 143.06 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.51 142.42 40.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.45 122.04 13.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -89.63 94.92 10.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -171.71 89.99 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -155.7 99.77 2.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.878 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -67.21 155.62 90.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -7.15 18.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -114.86 37.03 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.878 HG12 ' O ' ' A' ' 16' ' ' ASP . 9.5 p -137.44 143.72 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.667 HD21 HD12 ' A' ' 84' ' ' LEU . 9.0 mt -116.98 87.6 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -81.97 164.47 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.3 t -84.0 120.64 75.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.06 150.23 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.78 172.93 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.28 -134.5 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 109.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.553 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 tp -55.53 137.68 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 p -118.06 -66.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -161.77 -176.79 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -114.67 166.53 11.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -113.96 6.29 16.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.3 m -137.41 153.75 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.93 178.34 7.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.02 138.42 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.64 37.24 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.568 1.167 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -64.15 136.09 40.18 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.504 ' CE1' ' OD2' ' A' ' 87' ' ' ASP . 1.9 t60 -96.96 136.12 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -142.05 -176.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -103.26 156.37 17.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -63.51 98.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.58 -26.91 3.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.151 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.24 160.45 18.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 0.742 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -92.85 132.93 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.937 ' CD1' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -115.15 -17.12 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.582 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.4 178.4 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.0 -178.9 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -163.82 165.72 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 111.019 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 20.3 tt0 -123.6 117.19 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.42 144.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 50.08 37.5 14.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mttt 63.49 27.76 15.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.7 mtt -132.83 138.76 47.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 25.2 mm -92.78 118.81 39.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.7 ttm -115.86 140.88 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.45 150.91 29.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.6 119.3 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -108.71 163.02 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.664 ' HB ' HD11 ' A' ' 84' ' ' LEU . 27.5 m -89.64 139.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -71.61 -26.16 62.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 21.9 mt-10 -153.55 125.44 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.784 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 10.1 ptt-85 -35.9 153.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.453 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 162.27 -142.15 7.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 56.7 mtt180 -128.05 118.09 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.766 . . . . 0.0 110.222 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.937 HG11 ' CD1' ' A' ' 45' ' ' TYR . 57.5 t -85.57 141.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.677 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -143.85 138.36 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.75 126.32 32.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 83' ' ' ARG . 1.4 mt -112.46 -48.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.83 134.77 34.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.55 148.76 17.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.34 5.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.66 26.82 3.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.99 176.49 6.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -95.4 111.71 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -80.19 125.6 30.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.43 158.53 38.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.62 136.48 58.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.87 61.24 7.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -131.81 174.01 10.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.57 141.96 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.31 -58.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -153.05 159.38 42.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' HD3' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -108.12 154.06 22.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.071 . . . . 0.0 110.349 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.667 HD12 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -109.09 143.64 38.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.7 103.59 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.39 124.1 16.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' OD2' ' CE1' ' A' ' 38' ' ' HIS . 19.3 p30 -93.08 -8.59 42.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -141.74 67.3 23.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.47 14.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.67 135.65 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -169.55 81.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 92' ' ' VAL . 7.7 p -66.62 115.26 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.35 153.63 74.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.646 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 77.23 3.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.564 1.823 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.38 122.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.23 -165.39 38.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.26 39.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.439 1.757 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -140.65 151.15 44.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.37 148.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.962 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 p -118.34 163.29 16.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.45 147.01 49.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.18 -153.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 p -164.41 135.39 4.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.2 136.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.54 133.8 12.04 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.9 t -102.21 127.45 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.7 m 44.12 80.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 108.356 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.71 150.58 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.382 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 64.22 94.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.93 163.15 38.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.33 80.34 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.38 86.94 2.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -158.73 84.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' HG12 ' A' ' 19' ' ' VAL . 51.2 m-20 -92.13 147.08 33.98 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.5 18.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -108.28 50.54 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 16' ' ' ASP . 1.7 p -134.98 135.93 52.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.756 HD11 ' HG ' ' A' ' 84' ' ' LEU . 7.2 mt -103.56 86.16 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 6.1 mtt85 -85.4 153.86 22.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.585 ' HB2' HD11 ' A' ' 75' ' ' LEU . 36.4 t -84.21 136.77 40.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.936 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -17.24 19.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.63 153.49 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.39 172.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.99 -137.38 4.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -157.34 113.56 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 71' ' ' PRO . 19.8 tp -59.2 153.01 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.7 p -127.78 -62.23 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -168.52 176.92 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -107.03 138.48 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' ' 46' ' ' ALA . 41.9 p -84.72 -11.3 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.599 1.187 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.5 m -118.19 165.07 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.36 179.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -49.85 119.92 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.46 61.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.4 1.063 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -59.83 130.52 49.74 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.59 ' CE1' ' OD2' ' A' ' 87' ' ' ASP . 2.4 t-160 -107.01 112.96 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 109.593 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -120.11 -179.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -112.23 155.37 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.804 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.31 93.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.87 -19.1 3.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -78.59 -174.17 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 p -120.77 134.96 55.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.828 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.6 p90 -118.09 -11.42 10.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HA ' HG23 ' A' ' 32' ' ' THR . . . -165.37 -174.7 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -141.96 178.6 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.5 156.95 26.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 24.4 tt0 -119.36 112.25 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.0 141.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 57.41 35.73 26.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 19.51 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.7 mtt -125.11 142.31 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 16.0 mm -92.81 125.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ttt -124.77 140.82 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.25 149.45 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.103 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.72 122.99 49.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 43' ' ' SER . 1.3 p-10 -115.45 166.86 11.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.668 ' HB ' HD11 ' A' ' 84' ' ' LEU . 27.7 m -94.63 143.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' C ' ' CG ' ' A' ' 61' ' ' GLU . 1.6 mt-30 -77.96 -23.63 48.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 15.8 mt-10 -153.16 123.14 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.804 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -36.18 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.6 -139.55 5.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 1.7 mtt85 -135.56 120.14 18.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.828 HG11 ' CD1' ' A' ' 45' ' ' TYR . 58.1 t -83.97 144.4 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.567 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -137.27 162.05 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.31 128.59 34.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.418 HG22 ' HG2' ' A' ' 69' ' ' LYS . 3.1 mm -126.36 -69.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' HG22 ' A' ' 68' ' ' ILE . 4.1 mmmt -91.7 131.91 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.11 148.26 41.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.659 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 129.1 12.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.423 1.749 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.44 1.58 23.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.89 176.64 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.58 105.75 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.44 131.47 45.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.78 152.4 43.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 120.32 11.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 55.41 5.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.5 m -129.27 172.31 11.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.42 140.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.7 t -119.97 -54.6 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -152.77 -176.72 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.83 148.26 35.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.756 ' HG ' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -124.03 114.56 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.18 105.09 17.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -43.99 111.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.59 ' OD2' ' CE1' ' A' ' 38' ' ' HIS . 28.7 p30 -87.44 -6.85 58.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -138.46 69.78 46.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.231 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.7 20.04 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.24 127.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -164.21 92.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.66 97.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -49.0 118.25 7.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.577 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -66.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.774 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.55 149.13 22.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.952 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.91 -177.77 43.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.7 39.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 p -154.75 135.77 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.2 p -179.63 145.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.565 1.166 . . . . 0.0 110.959 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.3 p -110.74 158.49 18.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 0.75 . . . . 0.0 110.042 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -142.64 147.81 36.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.84 -134.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -136.76 90.66 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m -162.2 128.07 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 146.92 18.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.8 p -108.71 67.58 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.405 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.61 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.9 t 63.96 103.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.24 130.88 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -166.41 115.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.356 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.17 167.78 17.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -140.51 160.45 39.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.132 . . . . 0.0 110.245 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.39 99.68 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.34 87.15 0.43 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.41 3.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 p -111.28 -6.39 14.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 p -129.29 121.07 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -86.97 90.05 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -81.63 165.86 20.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.465 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 2.4 t -84.04 114.17 52.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.95 18.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.36 154.75 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.051 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 171.54 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.454 ' CA ' ' HB ' ' A' ' 50' ' ' VAL . . . 160.44 -140.45 6.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -158.12 121.83 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 75' ' ' LEU . 15.5 tp -64.91 153.52 40.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.5 p -130.22 -69.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -166.06 170.05 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -100.62 164.6 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.2 p -120.51 4.59 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -120.72 158.19 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.63 173.17 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.62 130.0 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.58 37.05 32.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 129.44 43.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -94.42 127.69 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.652 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.74 175.55 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.22 155.94 19.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.631 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -65.8 94.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -13.03 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -82.81 -174.0 5.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HG22 ' A' ' 56' ' ' THR . 82.8 p -124.94 133.39 53.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.775 ' CB ' HG21 ' A' ' 65' ' ' VAL . 4.5 p90 -116.17 -10.79 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.39 176.57 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.67 177.96 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -157.27 163.54 38.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 35.2 tt0 -123.78 106.65 10.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' HB ' ' CA ' ' A' ' 26' ' ' GLY . 3.2 p -129.13 140.31 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.56 35.49 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp 64.33 20.35 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.1 mtt -124.14 140.48 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 32.3 mm -91.89 115.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.606 1.191 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.8 ttt -116.3 140.93 48.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.8 OUTLIER -83.07 146.05 28.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.454 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.81 124.83 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 43' ' ' SER . 3.6 p30 -116.91 168.82 9.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.583 HG23 ' HA ' ' A' ' 41' ' ' ALA . 17.2 m -98.01 143.44 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -80.58 -23.85 39.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ARG . 63.4 mm-40 -149.29 133.17 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.631 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -35.98 150.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.33 161.34 10.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 140.6 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.775 HG21 ' CB ' ' A' ' 45' ' ' TYR . 98.9 t -88.28 143.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.635 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -126.54 159.86 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.507 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.9 t80 -89.74 118.55 29.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.507 HD13 ' O ' ' A' ' 67' ' ' TYR . 22.4 mm -117.62 -72.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -89.59 133.93 34.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.097 . . . . 0.0 109.26 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.49 154.68 63.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 128.03 11.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.08 13.31 11.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.67 172.55 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.85 122.76 45.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -83.62 125.26 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.93 153.86 46.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.234 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.54 130.01 43.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.7 54.57 24.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 m -129.86 172.64 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.48 148.53 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.69 -51.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -155.45 -178.76 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 167.87 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.7 tm? -131.3 129.39 41.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.8 93.09 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.79 116.37 1.93 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -86.01 -8.12 58.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -141.43 69.49 26.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.04 14.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.7 t -178.02 145.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -136.69 -139.59 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.4 p -139.63 142.13 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -119.32 150.79 50.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 114.46 4.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.38 149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.936 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.99 -170.13 43.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 144.66 30.86 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.575 1.829 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 t -108.66 108.9 19.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.8 m 59.87 108.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.31 -59.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.949 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.46 149.42 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.81 -88.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -127.4 83.09 2.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.454 0.738 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.84 133.84 53.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.072 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.61 78.23 0.31 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.399 1.062 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 p -82.93 141.26 32.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.6 p -64.81 128.57 36.31 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.576 1.173 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.5 t -123.04 150.66 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -173.13 140.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.36 161.97 10.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 58.93 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -142.76 160.82 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -124.29 167.91 13.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -112.55 120.52 40.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.33 3.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.797 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' LEU . 26.5 p -113.93 -52.83 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.43 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.1 p -83.94 109.61 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.27 88.1 2.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -76.94 149.76 35.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -71.69 116.21 45.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.52 20.12 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.565 1.824 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' HE3' ' A' ' 48' ' ' MET . 16.5 m -163.38 153.21 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -179.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 154.7 -133.56 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -164.82 114.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.88 159.15 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.9 p -139.16 -62.2 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -167.46 -176.47 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -114.71 178.22 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -124.97 7.28 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.35 156.43 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -179.94 6.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.98 131.45 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.11 45.45 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 134.32 33.67 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -107.57 132.77 52.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.34 -175.96 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.82 155.8 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -63.8 93.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.07 -24.25 1.91 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -74.48 -176.02 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.396 0.704 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.5 p -118.94 130.23 55.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.702 ' CB ' HG21 ' A' ' 65' ' ' VAL . 5.8 p90 -111.41 -20.08 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -161.03 179.63 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -140.62 178.91 7.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.425 ' HE3' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -161.76 162.69 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 21.1 tt0 -120.94 118.93 31.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.226 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' MET . 3.1 p -135.2 138.36 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 49.4 43.19 23.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mttp 62.26 22.24 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -123.65 135.14 53.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mm -91.58 117.44 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.4 ttp -114.56 140.44 48.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.35 144.58 26.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.93 114.6 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -102.47 163.61 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.605 HG23 ' HA ' ' A' ' 41' ' ' ALA . 11.5 m -92.75 130.77 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -66.27 -33.04 74.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' ARG . 59.1 mm-40 -147.29 127.11 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.447 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.36 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 161.06 -145.96 11.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -120.61 124.65 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.702 HG21 ' CB ' ' A' ' 45' ' ' TYR . 99.5 t -86.15 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.677 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -141.78 143.68 33.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.96 121.99 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.481 ' HA ' HD13 ' A' ' 68' ' ' ILE . 17.6 mm -101.16 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -90.19 130.5 36.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -48.1 158.44 0.56 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.33 9.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.425 1.75 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.63 35.36 3.82 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.22 173.41 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 0.698 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.0 p -95.64 102.44 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.23 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -69.9 128.08 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.87 153.2 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.0 133.68 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.197 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.86 59.73 9.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -135.42 176.07 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.72 135.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -122.17 -58.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -156.55 165.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.4 166.96 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.208 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.528 HD11 ' HA3' ' A' ' 63' ' ' GLY . 3.5 tm? -124.05 128.58 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.54 94.52 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.4 114.81 1.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -8.25 56.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -147.64 90.06 5.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -21.37 15.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -116.08 80.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.64 -140.37 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.5 t 61.75 144.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 41.12 89.36 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.651 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 130.17 13.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 t -48.54 133.36 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.9 -147.27 5.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.19 33.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t 74.43 163.28 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -117.3 -60.96 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.33 144.45 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.486 0.756 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.32 168.72 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.35 -159.82 35.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -178.55 156.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 0.734 . . . . 0.0 109.89 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -44.76 163.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.31 -171.16 29.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -172.49 142.32 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.792 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.74 96.43 8.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 108.347 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 m -139.66 -174.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -90.22 102.4 15.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -170.95 127.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -178.77 138.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -140.27 124.59 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -161.22 143.3 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' CB ' HG12 ' A' ' 19' ' ' VAL . 2.9 m-20 -139.53 146.1 46.59 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.99 2.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.5 p -60.72 -27.68 68.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.2 p -108.25 110.18 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD11 ' HG ' ' A' ' 84' ' ' LEU . 4.0 mt -77.06 89.03 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -82.21 156.79 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.443 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 22.4 t -79.87 119.65 77.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -16.88 19.87 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.0 148.75 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.941 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.71 175.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.54 -139.88 6.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.916 ' HE2' HG23 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -159.32 121.89 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.79 . . . . 0.0 109.359 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.96 144.6 55.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.7 p -123.3 -58.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -170.86 -177.56 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -119.11 173.54 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.1 p -121.84 12.16 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.7 148.06 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.81 178.59 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.73 131.77 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.29 39.48 5.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.32 138.88 45.54 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -102.73 138.24 39.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.68 -175.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -114.16 155.9 25.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.599 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -66.28 98.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.75 -6.57 5.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.6 1.188 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -90.07 -173.69 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 56' ' ' THR . 40.1 p -120.1 135.64 54.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.889 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.4 p90 -112.47 -13.77 13.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -167.46 -178.46 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -139.11 179.47 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.9 162.19 31.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -120.2 116.32 25.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.23 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -136.03 138.18 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.87 39.96 23.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt 58.2 28.76 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtm -131.78 151.69 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.77 130.13 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 17.0 ttt -134.14 141.09 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 44' ' ' SER . 1.2 m -76.42 148.42 37.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -111.55 112.5 24.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -92.87 174.67 7.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.542 HG13 ' HD2' ' A' ' 45' ' ' TYR . 2.6 m -102.39 151.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -71.62 -6.62 42.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 0.5 OUTLIER 163.93 155.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.261 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.599 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.11 151.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.475 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 145.94 160.79 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.24 130.59 34.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' A' ' 45' ' ' TYR . 93.5 t -84.2 150.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.608 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -134.13 162.01 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -90.98 122.52 33.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mm -119.59 -70.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -88.61 135.11 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -59.87 148.1 77.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.83 5.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.54 1.49 8.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.94 175.42 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.277 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.916 HG23 ' HE2' ' A' ' 27' ' ' LYS . 1.8 p -93.73 116.01 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.23 155.08 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 122.3 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.67 54.54 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -129.21 171.5 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -99.61 138.93 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.59 -54.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -152.58 -178.61 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -109.18 157.89 18.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.253 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.491 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -124.98 115.98 21.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 0.0 109.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -100.13 93.9 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.1 mt -42.09 118.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -90.99 17.66 7.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -178.07 86.36 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.35 15.0 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.43 -63.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.68 124.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.8 t -146.91 140.44 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.64 154.49 37.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 72.81 4.58 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.44 -69.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.75 163.35 10.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.79 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -141.19 34.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.615 1.197 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.6 p -58.54 -18.01 26.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.045 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p 179.46 149.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.042 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.96 159.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.07 138.02 2.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -163.92 147.19 9.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 0.774 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -177.65 -61.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.052 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.61 131.58 2.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -129.55 175.61 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.602 0.825 . . . . 0.0 110.359 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.5 m -136.47 140.34 43.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 10' ' ' VAL . 35.1 m -146.56 68.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 51.97 174.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -108.85 121.4 45.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.0 87.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -166.78 96.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.236 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -136.01 144.57 45.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.16 99.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.42 3.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.2 p -113.11 -39.67 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 p -94.32 118.44 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.377 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.623 HD11 ' HG ' ' A' ' 84' ' ' LEU . 1.9 mt -74.66 97.91 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -92.14 151.1 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 75' ' ' LEU . 39.0 t -76.52 126.93 85.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.94 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.72 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 165.93 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.48 -142.26 7.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' A' ' 74' ' ' VAL . 1.5 mttp -156.13 110.79 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 tp -52.91 159.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -138.39 -62.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.78 -178.18 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -116.78 163.51 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 p -112.15 7.18 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.1 m -127.32 155.01 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.12 178.97 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 125.9 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.52 37.48 49.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -61.83 131.49 46.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -94.25 126.0 39.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 109.641 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.73 -175.7 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -117.38 156.42 27.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.37 101.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.87 -9.68 6.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -85.8 -173.66 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 p -119.81 136.89 54.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.731 ' CB ' HG21 ' A' ' 65' ' ' VAL . 1.4 p90 -115.85 -14.28 11.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -171.95 -174.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.376 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.45 178.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.28 160.11 38.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -117.53 114.69 23.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 144.59 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 52.19 44.77 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.14 34.07 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -138.55 147.47 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 132.88 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.414 ' HG2' ' N ' ' A' ' 56' ' ' THR . 1.9 ttm -136.54 140.07 42.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.414 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.8 OUTLIER -77.75 151.0 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 110.406 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -112.22 131.92 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.39 169.43 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -95.1 144.51 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.8 tm0? -70.98 -17.65 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.5 mt-10 -175.42 149.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.465 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -36.04 148.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.477 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 149.46 160.01 8.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 15.7 mtp180 -85.36 134.29 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 0.717 . . . . 0.0 110.299 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.731 HG21 ' CB ' ' A' ' 45' ' ' TYR . 93.7 t -90.65 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -127.67 162.1 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.75 124.26 36.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.28 -60.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -89.0 124.63 34.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.77 148.65 3.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 119.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.03 23.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.35 176.66 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 74' ' ' VAL . 2.1 p -91.13 114.26 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.466 HD12 ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -84.9 119.51 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.4 152.12 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 116.73 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.25 54.3 3.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.73 173.24 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.29 145.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.29 -66.24 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -136.19 -175.64 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.406 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.7 tpp180 -113.59 146.24 40.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.06 111.18 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.04 97.54 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.1 mt -57.89 109.12 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.62 -9.15 58.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -149.69 97.26 3.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -19.59 17.61 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.8 t -176.66 140.59 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.083 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 75.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.6 p -82.51 138.18 19.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.9 105.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.627 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.45 14.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.87 91.9 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.09 155.95 27.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 158.11 42.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.446 1.761 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.0 p -115.41 164.05 14.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.4 p -162.02 143.74 11.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.414 1.071 . . . . 0.0 111.02 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -178.14 138.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.034 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -155.33 154.81 32.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.065 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.68 97.82 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.14 85.48 2.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.65 124.18 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.0 111.61 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.8 p -47.12 107.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.392 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.66 78.46 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 10' ' ' VAL . 33.9 m -121.91 62.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' GLU . 3.6 t80 62.82 95.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' PHE . 7.6 mt-10 38.78 90.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HG3' HG23 ' A' ' 10' ' ' VAL . 3.4 mmtt -144.3 90.14 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' OE2' ' NH2' ' A' ' 21' ' ' ARG . 2.8 mt-10 -135.14 122.16 21.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.184 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -138.64 132.21 30.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.374 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.07 84.62 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -2.48 12.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -105.82 43.96 1.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.423 1.077 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 19' ' ' VAL . 4.1 p -130.65 120.89 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.777 HD11 ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -87.39 91.02 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 3.8 mtt85 -87.51 150.94 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 27.2 t -78.6 138.87 58.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.61 11.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 m -164.02 153.86 14.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.38 170.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.75 -137.99 5.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -157.79 115.1 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB2' HD23 ' A' ' 75' ' ' LEU . 17.9 tp -64.35 158.13 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.7 p -138.45 -57.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -178.46 173.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.0 p90 -102.81 166.65 10.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 p -113.28 8.53 18.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.5 m -124.66 157.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -179.93 7.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.8 125.14 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.03 35.89 65.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.02 131.02 44.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -102.1 108.88 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 109.567 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -112.51 -175.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -110.22 156.16 21.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.868 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -65.46 93.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.31 -15.03 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -80.58 -174.31 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 56.7 p -119.28 136.44 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.858 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.6 p90 -115.04 -15.63 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.95 -173.01 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -142.64 179.52 6.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -157.24 157.47 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 22.1 tt0 -119.77 113.48 20.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.48 143.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.1 mmm 53.42 35.67 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.09 26.27 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -129.19 136.85 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 21.0 mm -90.68 121.58 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 63.8 mtt -122.72 139.89 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -76.86 146.48 37.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' SER . 3.7 mt -105.94 139.77 39.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 168.65 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 m -92.4 143.91 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.437 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.9 mt-30 -63.22 -19.54 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.91 ' OE2' HD22 ' A' ' 86' ' ' LEU . 10.5 tt0 173.11 149.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.868 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.49 139.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.27 -142.65 7.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -132.4 125.08 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.858 HG21 ' CB ' ' A' ' 45' ' ' TYR . 83.5 t -85.18 138.9 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.707 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -129.53 161.95 29.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -92.91 115.83 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 67' ' ' TYR . 16.4 mm -112.63 -71.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -81.51 121.33 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.01 148.04 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.603 1.19 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.499 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 117.47 4.92 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.08 5.36 9.7 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 176.24 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 74' ' ' VAL . 2.5 p -93.21 116.14 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.661 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -77.25 128.38 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -125.95 148.76 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.89 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.61 47.9 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.7 m -125.33 172.64 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.0 p -88.07 145.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.05 -62.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -146.89 -173.84 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.67 151.61 28.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.777 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -125.07 120.04 30.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.69 91.88 5.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.91 HD22 ' OE2' ' A' ' 61' ' ' GLU . 92.4 mt -65.17 115.43 5.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -72.84 -6.94 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -151.8 93.73 3.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.36 22.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.1 t 47.36 89.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.66 84.79 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.3 t -105.5 -50.04 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 93' ' ' HIS . 5.4 t-80 39.95 72.41 1.01 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.63 12.44 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.503 1.791 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.57 162.67 13.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.45 166.11 35.21 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 120.84 6.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.3 p -87.22 157.15 19.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.2 117.29 34.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -150.02 154.39 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.8 144.43 16.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.6 1.187 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.49 -176.88 38.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.17 160.5 15.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 0.746 . . . . 0.0 110.067 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -173.13 108.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.7 52.72 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 p -114.46 138.8 50.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.9 t -54.08 -62.14 1.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 108.22 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t 50.28 68.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 3.9 p90 -48.75 130.85 18.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.37 172.49 4.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 122.79 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' OE1' ' CD2' ' A' ' 93' ' ' HIS . 3.2 mt-10 -143.81 167.24 22.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -80.76 137.81 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.97 92.08 0.45 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.32 3.62 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.589 1.837 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 p -112.15 -7.56 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.06 118.64 54.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.646 ' HG ' HD12 ' A' ' 84' ' ' LEU . 1.3 mt -75.85 90.95 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -77.69 159.36 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.5 t -86.93 115.71 63.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -12.94 21.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.461 1.769 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' HE1' ' A' ' 48' ' ' MET . 0.1 OUTLIER -164.68 154.43 13.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 150.08 47.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.44 -148.57 6.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.13 107.32 4.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.791 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' HD23 ' A' ' 75' ' ' LEU . 14.3 tp -56.11 135.28 53.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -115.01 -65.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -164.45 -175.86 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -115.02 179.04 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 p -128.55 6.16 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.5 m -125.52 158.39 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 179.36 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.22 125.29 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.52 62.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.69 131.48 52.07 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CD2' ' OD2' ' A' ' 87' ' ' ASP . 7.2 t-80 -102.11 127.54 48.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' HG11 ' A' ' 59' ' ' VAL . 28.0 m -133.4 -177.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -111.23 155.11 23.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -57.95 106.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.29 -32.22 3.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -62.09 167.59 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 p -106.91 131.58 53.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.651 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.7 p90 -114.57 -21.87 10.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.651 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -159.19 -178.55 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -138.64 -178.95 5.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.444 ' HE1' ' O ' ' A' ' 24' ' ' SER . 14.7 ptm -159.94 152.15 20.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -111.53 113.71 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.36 146.17 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 mmt 54.63 30.45 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.15 11.66 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.5 mtt -117.0 153.94 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.4 mm -97.45 132.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.8 mtt -130.28 139.51 50.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.21 145.45 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -111.67 123.18 49.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' SER . 91.6 m-20 -107.99 168.24 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.536 ' HB ' HD11 ' A' ' 84' ' ' LEU . 16.8 m -92.42 130.89 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.2 mm-40 -59.6 -32.21 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 41.2 mt-10 -157.06 133.2 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 6.2 ptm180 -36.29 151.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.15 -138.78 5.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' H ' HD23 ' A' ' 84' ' ' LEU . 8.3 mtt180 -136.65 120.39 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.804 . . . . 0.0 110.283 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 45' ' ' TYR . 59.4 t -83.65 146.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.605 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -138.57 162.09 35.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.506 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -86.52 115.64 24.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 67' ' ' TYR . 14.8 mm -112.88 -68.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 131.69 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.0 146.31 15.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.95 5.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 2.73 10.98 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.39 176.37 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.7 116.35 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -80.44 136.05 36.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.171 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -133.54 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.66 131.39 49.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.67 59.66 7.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.08 173.21 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -96.45 145.0 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.5 -66.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -137.29 -179.4 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 143.95 39.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.646 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -126.3 109.52 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 93.42 9.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 mt -44.04 117.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.509 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 6.3 p30 -91.0 -9.04 47.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -136.48 74.58 53.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 176.43 9.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.34 -63.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -80.94 78.09 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.2 t -107.79 84.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.388 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.478 ' CD2' ' OE1' ' A' ' 14' ' ' GLU . 10.4 m170 64.28 152.52 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.58 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.4 Cg_endo -74.95 156.09 43.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER 164.66 127.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -146.16 157.69 27.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 166.78 28.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -104.82 132.4 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.6 m -56.56 111.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.07 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -159.11 164.08 35.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 109.953 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m 66.1 148.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.1 85.2 1.71 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.71 161.3 20.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.725 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.71 94.43 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.64 -107.21 3.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.602 1.189 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -163.62 130.06 3.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.781 . . . . 0.0 110.425 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.44 124.34 27.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.067 . . . . 0.0 108.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 65.9 t -88.63 89.61 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 51.88 94.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -169.59 152.77 4.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -87.65 149.31 24.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.91 147.35 26.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -156.45 150.93 25.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' HB3' HG12 ' A' ' 19' ' ' VAL . 0.7 OUTLIER 178.96 125.75 0.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.227 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -27.26 10.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.551 1.816 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' LEU . 33.7 p -58.79 -47.48 84.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 19' ' ' VAL . 11.1 p -86.8 101.24 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -74.1 86.41 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 159.04 31.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 25.8 t -79.41 116.22 58.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.937 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.6 20.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 152.68 22.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 167.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.6 -152.15 21.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -146.33 110.4 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -54.73 149.95 10.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -128.29 -72.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -158.29 -174.32 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.83 168.15 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.478 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 67.7 p -121.29 6.67 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 45' ' ' TYR . 4.6 m -125.81 163.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.8 179.68 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 124.4 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.85 75.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -54.93 126.73 39.25 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -103.29 120.39 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.589 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -132.45 176.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -103.13 155.83 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -56.42 108.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.57 -31.52 3.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -65.37 163.87 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 0.721 . . . . 0.0 109.977 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.451 ' HB3' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -107.72 130.62 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.989 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' HG11 ' A' ' 65' ' ' VAL . 29.2 p90 -114.11 -11.71 12.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -162.15 178.17 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' OE2' ' CG2' ' A' ' 32' ' ' THR . 2.9 mt-10 -135.53 179.74 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.92 150.02 13.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -109.74 112.95 25.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.51 148.12 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.8 mmm 50.6 41.08 25.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 60.23 18.34 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtt -122.39 152.41 40.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mm -101.67 104.27 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.7 mtt -102.9 140.15 37.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -85.74 150.47 24.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 mt -112.32 129.88 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' SER . 3.1 p30 -118.52 166.55 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 41' ' ' ALA . 33.1 m -90.7 131.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 61' ' ' GLU . 50.4 mm-40 -63.16 -32.65 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 9.1 mm-40 -147.88 131.74 17.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.466 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -36.59 150.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' HIS . . . 163.46 -147.42 13.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 7.6 mtt-85 -127.22 125.47 41.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.397 0.704 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.818 HG11 ' CD1' ' A' ' 45' ' ' TYR . 97.5 t -83.97 136.64 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -130.67 160.91 32.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.61 116.24 23.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 80' ' ' VAL . 21.1 mm -110.6 -65.75 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.611 ' CG ' HG13 ' A' ' 80' ' ' VAL . 5.9 mmpt? -93.65 146.98 23.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 148.39 98.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 120.49 6.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.98 -4.84 10.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.42 1.075 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.41 165.1 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.01 104.18 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -63.06 121.02 12.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -121.17 150.64 40.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.16 122.34 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.66 56.62 4.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.83 173.44 11.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.611 HG13 ' CG ' ' A' ' 69' ' ' LYS . 13.6 p -93.14 144.19 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.27 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -148.06 -179.19 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.0 166.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' THR . 3.0 tm? -140.46 105.65 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -87.94 92.68 9.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.6 mt -48.3 132.19 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.46 -0.35 32.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -146.16 74.44 13.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.77 5.77 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.556 1.819 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.1 t -135.0 -69.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 64.55 79.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.7 t -146.89 128.72 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -45.12 103.82 0.36 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.652 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.56 41.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.57 89.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.914 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.5 -163.46 24.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.28 39.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.7 t -128.57 111.46 13.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.4 p -89.51 131.86 35.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.938 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m 58.84 163.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 110.054 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.61 -58.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.42 -176.98 2.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -179.03 113.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -125.22 131.7 53.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.85 -168.48 22.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -170.4 162.8 8.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 0.728 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.04 152.63 30.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 108.269 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.19 122.4 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -48.32 112.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.51 163.55 27.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt 65.32 127.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -130.58 171.1 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 27.7 t30 77.41 -65.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.723 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER 50.25 93.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -1.14 10.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.3 p -108.02 32.63 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.44 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 16' ' ' ASP . 8.1 p -117.05 120.2 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD22 ' HE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -85.19 89.23 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -79.46 161.88 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.688 ' HB2' HD13 ' A' ' 75' ' ' LEU . 3.9 t -79.56 115.21 51.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -10.17 21.17 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.6 m -167.83 153.25 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 175.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 152.43 -137.12 5.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 75' ' ' LEU . 1.5 mttt -170.38 123.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.48 158.1 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -139.11 -59.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -162.74 -177.77 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.8 167.32 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -114.73 5.59 15.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.8 m -134.9 160.84 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -179.74 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 130.05 11.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.76 53.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.49 133.5 47.79 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.8 126.24 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.598 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG2' HG11 ' A' ' 59' ' ' VAL . 18.8 m -133.1 177.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.55 156.1 17.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.853 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -62.77 92.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -21.76 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -67.64 -173.84 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.746 . . . . 0.0 110.038 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -118.21 132.18 56.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.888 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.4 p90 -118.76 -9.47 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -172.13 -177.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.39 172.49 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.86 160.1 43.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 47.7 tt0 -117.26 122.18 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 p -143.01 142.09 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 50.84 43.63 28.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt 59.49 19.77 8.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.1 mtm -124.32 146.16 48.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.4 mm -97.63 129.47 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.92 140.3 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.4 149.04 30.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -115.16 105.27 12.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.7 p30 -94.7 166.91 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 39' ' ' VAL . 4.5 m -88.94 139.75 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -26.78 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 26.3 mt-10 -154.43 126.78 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.853 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 5.6 ptm180 -36.85 151.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.625 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 155.26 -139.96 7.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -122.97 129.03 51.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.888 HG11 ' CD1' ' A' ' 45' ' ' TYR . 96.6 t -90.51 139.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.673 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -134.67 144.17 47.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.37 115.84 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.846 HG22 ' HE2' ' A' ' 69' ' ' LYS . 17.6 mm -96.76 -60.65 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.846 ' HE2' HG22 ' A' ' 68' ' ' ILE . 7.0 mmpt? -88.38 145.48 25.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.31 157.72 69.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.2 -5.79 6.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.112 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.68 164.74 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 0.734 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -89.38 136.34 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.3 OUTLIER -101.34 117.12 34.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -123.01 154.23 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.36 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.28 128.28 35.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.69 58.45 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.3 m -136.84 173.81 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 p -95.99 147.46 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.18 -55.88 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -159.09 167.8 28.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 163.32 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -114.67 143.7 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.717 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.4 tt0 -121.08 95.7 4.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.2 mt -50.54 126.74 16.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -92.09 -5.88 51.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.345 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -146.02 90.28 5.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -170.77 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 t -75.24 -63.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -125.18 -140.74 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 t 54.83 88.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.59 154.61 76.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.647 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 80.72 2.36 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.808 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.1 p -114.9 151.52 33.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.87 -127.86 6.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 159.22 41.45 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.386 1.73 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.94 156.06 4.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.085 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.93 161.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 111.011 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.44 155.85 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 110.027 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p -110.74 141.31 44.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.071 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.77 -159.78 8.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.48 164.67 17.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.25 98.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.51 -122.61 7.31 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.12 165.13 12.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 110.441 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.36 75.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.344 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.5 p -117.44 92.07 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -92.76 148.11 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 51.31 82.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.26 141.08 35.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.96 153.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 46.66 89.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -152.21 93.94 3.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 54.28 3.57 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.57 1.826 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.0 p -114.6 -15.53 11.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.464 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.6 p -114.75 113.42 43.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD11 ' HG ' ' A' ' 84' ' ' LEU . 3.1 mt -74.71 87.93 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -78.09 147.23 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.437 ' OG ' HD12 ' A' ' 75' ' ' LEU . 13.6 t -74.32 134.56 76.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -74.99 -21.76 15.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 165.28 4.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 172.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.11 -131.37 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLU . 64.8 tttt -162.41 115.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 15.7 tp -64.1 158.06 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -132.76 -64.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -171.77 167.43 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -93.5 159.08 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 p -104.88 -3.23 23.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.3 m -117.44 158.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -179.98 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.3 117.58 3.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.87 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -57.91 142.57 43.86 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -114.21 116.92 29.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -119.42 168.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.11 157.75 16.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.17 100.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.31 -13.56 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.3 m -85.41 -174.73 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.052 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -121.47 134.94 55.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.0 p90 -116.22 -15.1 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -166.21 -178.81 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CD ' HG23 ' A' ' 56' ' ' THR . 6.2 mt-10 -139.0 -179.39 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.01 154.88 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' LYS . 35.8 tt0 -114.97 116.44 28.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 145.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.5 mmm 53.53 27.4 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.42 13.61 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.3 mtp -119.48 139.83 51.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mm -88.13 131.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.1 mtp -131.01 138.87 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -81.6 150.67 28.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mt -113.13 125.91 54.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 p30 -115.41 167.34 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.79 133.51 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.85 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' ARG . 23.0 mt-10 -148.0 131.67 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.02 152.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.507 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 163.29 172.87 31.31 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 71.5 mtt180 -92.81 119.99 32.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.391 0.701 . . . . 0.0 110.304 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 45' ' ' TYR . 84.2 t -84.15 139.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.606 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -132.89 162.07 32.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.9 121.59 28.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.32 -69.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.381 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -89.19 144.02 26.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.236 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.23 147.4 91.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.462 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.6 Cg_endo -74.97 123.48 7.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.39 6.15 27.58 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.83 174.21 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 0.729 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -93.3 102.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.14 148.92 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -142.41 151.05 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.7 130.26 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.28 57.86 13.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.76 173.05 12.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.54 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -121.3 -68.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -134.45 -175.25 3.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -109.86 143.77 39.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.544 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -122.63 111.57 16.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -100.85 101.45 12.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.336 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.8 mt -48.0 113.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.28 -2.6 57.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -141.69 76.69 20.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -5.18 16.44 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.4 t -115.47 108.04 15.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -147.63 111.3 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 91' ' ' LYS . 55.1 t -40.22 129.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -93.23 160.53 33.18 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.605 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 91.31 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.78 137.18 47.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.75 155.13 14.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.77 108.85 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.34 -34.22 15.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.391 1.057 . . . . 0.0 110.987 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -145.05 168.4 20.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -120.48 155.39 33.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.14 129.52 1.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 m -150.54 168.05 25.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -115.86 140.08 49.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.52 -161.34 14.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -136.68 139.47 42.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.461 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.14 115.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 108.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.6 m -138.81 149.69 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -123.62 173.73 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -146.86 97.89 2.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -94.13 109.32 21.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -179.62 119.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -145.59 133.89 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.622 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -163.13 104.95 1.0 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.12 9.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 p -96.7 46.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 16' ' ' ASP . 8.0 p -136.89 113.8 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD11 ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -84.61 87.55 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -80.02 159.61 26.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 t -90.31 131.9 37.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.43 10.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.493 1.786 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' HE1' ' A' ' 48' ' ' MET . 74.7 m -160.78 158.73 29.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 168.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.44 -138.12 4.81 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -162.33 106.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.7 tp -53.76 158.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.5 p -141.51 -53.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -175.22 166.54 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.32 136.37 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -73.24 -18.03 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 45' ' ' TYR . 6.2 m -105.23 164.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -101.46 179.76 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.68 123.68 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.69 26.87 74.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -51.28 137.26 29.7 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.409 ' CD2' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -111.26 108.4 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.561 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 33' ' ' VAL . 13.7 m -117.41 -177.14 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -118.15 155.76 29.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -61.25 100.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.2 -19.21 6.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 4.6 m -75.3 -176.09 2.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 p -119.01 131.46 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.979 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.729 ' CD1' HG11 ' A' ' 65' ' ' VAL . 2.3 p90 -117.0 -12.89 10.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -164.57 -175.5 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -144.97 177.72 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE1' ' O ' ' A' ' 24' ' ' SER . 13.0 ptm -155.03 161.02 41.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.5 tt0 -121.28 96.91 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -115.34 142.3 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 53.74 36.16 23.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.19 12.8 8.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -115.87 140.06 49.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 43.2 mm -89.06 127.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.5 ttm -126.78 140.97 51.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.02 147.85 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -112.91 117.68 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.2 p30 -106.96 166.86 10.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 m -90.44 139.83 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 3.8 mt-30 -68.49 -25.68 65.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 28.4 mt-10 -160.79 138.86 9.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.63 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.66 146.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.64 -164.41 35.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG3' ' CD2' ' A' ' 38' ' ' HIS . 18.8 mtm-85 -112.97 122.54 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 0.803 . . . . 0.0 110.24 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.729 HG11 ' CD1' ' A' ' 45' ' ' TYR . 83.5 t -85.35 131.29 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.547 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 ttpm? -122.63 162.07 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.555 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -85.19 122.47 29.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 67' ' ' TYR . 28.4 mm -118.43 -76.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.91 134.34 35.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -54.62 152.16 13.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.0 17.29 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.38 22.25 17.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.37 176.52 7.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 74' ' ' VAL . 7.2 p -94.38 104.64 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -71.83 140.06 49.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.236 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -138.15 155.67 48.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 137.28 57.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.51 58.19 15.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 p -97.28 139.67 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -121.17 -64.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -139.2 -176.69 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.07 153.41 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.65 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -120.31 104.46 10.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -96.08 91.89 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.4 mt -49.77 135.84 18.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 5.9 p-10 -92.27 36.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.375 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.92 83.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 176.0 10.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -130.69 83.05 2.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 59.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.4 p -117.44 145.9 22.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.0 90.94 50.21 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.63 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.567 1.825 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.5 p -142.41 77.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.53 -139.75 1.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 66.02 6.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 m -61.43 141.81 57.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.051 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.8 p -173.18 152.87 2.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 p 178.72 151.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.012 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.71 151.76 1.92 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.21 158.71 21.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.02 143.2 51.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 110.055 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.29 108.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.1 105.2 0.46 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.588 1.18 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -154.33 -59.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m 64.25 109.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 108.227 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.464 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 34.5 m -56.26 146.41 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.18 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' CG ' ' O ' ' A' ' 10' ' ' VAL . 9.2 m-85 -171.76 111.18 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 111.033 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.03 136.9 54.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -161.45 73.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 58.54 -174.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -140.68 126.61 19.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.573 1.171 . . . . 0.0 109.398 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -56.49 148.1 46.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -8.02 19.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.8 p -99.75 28.21 4.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.659 HG23 ' HD3' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -130.82 143.26 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -114.5 101.01 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -95.16 162.32 13.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 31.0 t -84.88 125.19 71.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.13 17.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.0 153.01 19.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.78 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.73 9.27 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.79 114.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 0.831 . . . . 0.0 109.241 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.63 ' HB2' HD23 ' A' ' 75' ' ' LEU . 17.7 tp -63.74 138.9 58.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.1 p -113.46 -68.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -170.1 177.12 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -95.4 170.89 9.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -129.82 16.43 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.477 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m -131.32 155.38 41.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 177.13 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.31 128.63 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.61 39.03 65.08 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -62.01 127.89 41.42 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.8 t-80 -104.91 142.66 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 38' ' ' HIS . 2.8 m -155.5 -178.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.24 162.36 14.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . . . -67.95 93.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.32 -25.03 0.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 44' ' ' SER . 15.4 t -79.58 -176.59 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.72 ' HB2' HG22 ' A' ' 56' ' ' THR . 0.9 OUTLIER -118.14 133.06 56.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.89 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.3 p90 -115.25 -17.94 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.529 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.67 -176.26 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.88 172.72 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -149.81 160.66 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' OE1' HD11 ' A' ' 54' ' ' ILE . 40.0 tt0 -119.77 106.18 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.0 p -130.11 140.25 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.93 36.95 27.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp 65.07 14.08 9.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.88 134.03 55.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.519 HD11 ' OE1' ' A' ' 49' ' ' GLU . 25.6 mm -89.55 115.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.0 tpt -111.14 140.61 45.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.6 OUTLIER -80.67 146.69 30.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 57' ' ' LEU . 7.0 mt -107.65 118.19 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -103.95 166.82 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 41' ' ' ALA . 24.8 m -98.3 129.54 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -33.46 74.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.711 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 6.1 mm-40 -146.81 134.53 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' GLU . 7.5 ptp180 -36.1 153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.641 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.06 167.15 14.82 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 6.1 mtt180 -85.57 130.72 34.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.89 HG21 ' HB2' ' A' ' 45' ' ' TYR . 95.1 t -84.0 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -130.23 161.19 31.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.48 122.13 33.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.0 mm -115.42 -66.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -92.99 146.33 23.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.87 151.89 88.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 120.66 6.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.45 7.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.08 161.18 24.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 74' ' ' VAL . 7.7 p -80.99 98.07 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.78 129.72 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.07 152.31 48.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.13 122.53 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.49 56.55 6.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 m -128.96 172.49 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.34 134.22 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 75' ' ' LEU . 48.5 t -118.18 -57.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -149.33 171.48 16.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.659 ' HD3' HG23 ' A' ' 19' ' ' VAL . 5.7 mmt85 -112.43 144.97 40.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.641 HD11 ' HA3' ' A' ' 63' ' ' GLY . 3.2 tm? -96.39 135.32 38.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.446 ' N ' HD13 ' A' ' 84' ' ' LEU . 9.2 tt0 -121.5 92.13 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD23 HD11 ' A' ' 84' ' ' LEU . 23.5 mt -53.25 112.27 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -68.56 -9.67 50.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.43 103.97 0.12 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 48.28 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -171.46 94.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -159.25 111.03 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.2 m -104.85 154.64 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -104.41 153.52 39.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.621 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.59 13.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.59 145.7 12.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.085 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.96 157.61 8.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 83.84 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.4 p -64.03 121.93 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 t 65.88 150.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -125.85 152.51 45.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 110.075 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.99 137.67 51.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.42 -163.4 9.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.28 115.25 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 109.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -171.72 108.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 123.84 0.05 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -123.4 5.77 9.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.64 75.59 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 108.314 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 p -151.19 124.89 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.366 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 41.16 88.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -108.14 95.88 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -142.17 70.9 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -111.86 160.77 17.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.403 1.064 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -151.9 146.14 25.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.57 132.78 0.51 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.75 15.59 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.9 p -67.51 -46.07 73.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.0 p -87.4 117.37 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.29 101.88 5.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 23.6 mtt-85 -92.01 134.49 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -60.14 131.25 89.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.56 9.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.608 1.846 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -163.62 163.42 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 177.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.54 -139.84 6.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.69 100.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' A' ' 75' ' ' LEU . 34.2 tp -42.91 159.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.4 p -132.79 -61.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -178.92 166.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD1' ' CZ ' ' A' ' 67' ' ' TYR . 21.0 m-85 -90.93 162.51 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 46' ' ' ALA . 45.9 p -111.53 -5.25 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.641 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.3 m -117.79 167.1 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.89 179.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.26 127.16 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.56 38.07 34.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.25 129.91 50.26 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.38 114.68 26.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.751 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' CG1' HG11 ' A' ' 33' ' ' VAL . 12.1 m -120.46 169.37 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -104.11 153.66 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -62.22 92.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 109.316 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.49 -22.75 2.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 m -76.65 -175.26 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.082 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.2 p -122.36 134.67 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.868 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.2 p90 -118.38 -10.41 10.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 32' ' ' THR . . . -171.05 -176.59 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -147.31 173.47 12.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.89 163.79 37.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 45.1 tt0 -120.46 113.31 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.05 138.14 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.03 35.84 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt 66.11 14.72 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.8 mtp -121.49 145.34 48.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 6.9 mm -97.86 123.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -119.98 140.93 50.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -80.21 148.76 30.71 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.566 1.166 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.43 116.53 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 3.0 p30 -109.96 166.56 10.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 41' ' ' ALA . 11.8 m -97.61 130.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.4 ' NE2' ' OD1' ' A' ' 58' ' ' ASN . 2.3 mp0 -69.55 -33.82 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -136.94 125.01 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.542 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.08 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.53 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 165.32 -158.88 31.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -120.22 124.6 46.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.868 HG11 ' CD1' ' A' ' 45' ' ' TYR . 91.0 t -84.54 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.582 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -128.31 161.57 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CZ ' ' CD1' ' A' ' 31' ' ' TYR . 2.9 m-85 -89.74 116.19 27.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -110.0 -68.27 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -89.87 125.8 35.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.69 153.53 4.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 125.65 9.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.22 10.65 10.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.06 165.18 19.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 p -91.5 108.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -69.92 132.89 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -132.28 152.83 51.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.18 139.54 57.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.38 61.59 6.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -134.77 -176.04 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 p -103.92 137.09 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -117.33 -65.49 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -144.87 -179.15 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.67 149.21 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.53 HD22 ' HA3' ' A' ' 63' ' ' GLY . 1.3 mt -126.18 114.85 18.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.16 95.93 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.3 mt -44.28 124.09 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -88.58 -7.69 56.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -139.03 69.8 41.97 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 48.11 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.463 1.77 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 t -158.92 127.98 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.71 87.02 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.542 HG22 ' H ' ' A' ' 93' ' ' HIS . 6.2 p -124.38 172.17 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.542 ' H ' HG22 ' A' ' 92' ' ' VAL . 33.1 p80 -109.56 100.35 41.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 176.21 10.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.72 109.89 8.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.062 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.4 120.64 6.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 163.95 34.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -112.77 171.27 7.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.9 p -138.05 166.99 22.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -147.65 141.91 26.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 0.722 . . . . 0.0 110.074 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -154.87 168.54 26.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -66.59 2.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m 56.27 171.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.75 155.68 26.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.96 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.91 -164.76 8.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -93.32 137.03 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.06 96.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 108.289 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.55 145.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -108.88 154.63 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -175.17 114.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.22 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -157.94 100.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.14 78.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.573 1.171 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 62.4 123.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER 176.93 112.19 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -2.29 12.35 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -79.82 -31.65 40.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.7 p -106.28 105.12 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 45' ' ' TYR . 30.2 mt -73.84 92.16 2.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -91.22 144.6 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.323 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.624 ' HB2' HD13 ' A' ' 75' ' ' LEU . 9.5 t -50.73 106.83 0.69 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.45 160.71 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.42 155.73 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.29 -143.33 7.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.38 113.63 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.232 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' HD23 ' A' ' 75' ' ' LEU . 19.5 tp -56.15 132.86 51.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -109.18 -65.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -174.85 171.55 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -100.35 145.95 27.54 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.41 1.069 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 p -93.08 -15.52 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.595 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.7 m -108.25 162.99 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 173.6 7.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.92 122.24 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.17 33.44 64.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.418 1.074 . . . . 0.0 111.045 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -58.22 130.51 51.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.407 ' C ' HG13 ' A' ' 39' ' ' VAL . 20.2 t-80 -110.14 131.61 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.407 HG13 ' C ' ' A' ' 38' ' ' HIS . 27.8 m -153.38 -177.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -113.23 152.85 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.656 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -49.3 110.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.72 -31.69 3.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.61 156.01 36.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 0.784 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p -98.54 132.02 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.93 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.677 ' CD1' HG11 ' A' ' 65' ' ' VAL . 4.4 p90 -114.84 -17.82 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.89 174.75 14.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 56' ' ' THR . 15.0 mt-10 -144.3 -179.0 6.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.93 171.48 12.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.594 ' OE2' HD11 ' A' ' 54' ' ' ILE . 30.8 tt0 -126.18 112.44 15.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.21 141.0 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.5 mtm 58.59 29.6 18.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.28 22.67 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -130.54 123.5 29.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 54' ' ' ILE . 1.7 mp -76.08 120.44 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ttm -118.22 146.18 44.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' HG2' ' A' ' 47' ' ' GLU . 14.2 m -92.31 151.71 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.64 125.26 51.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -116.77 165.04 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 41' ' ' ALA . 33.4 m -90.41 135.39 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -30.34 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.1 mm-40 -141.53 125.24 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 3.8 ptt180 -36.12 150.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.63 1.206 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.24 -150.18 14.96 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 1.3 mtt180 -127.74 120.0 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 45' ' ' TYR . 48.0 t -87.2 141.12 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 14.7 tttt -139.52 162.08 35.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.86 132.14 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 mt -134.79 -47.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -107.3 123.08 47.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.387 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 146.05 28.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 129.43 12.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.59 -0.34 13.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.08 161.35 22.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p -86.57 129.35 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.624 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.3 OUTLIER -84.4 125.77 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 150.95 41.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 127.64 32.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.31 53.63 6.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.86 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 p -101.98 150.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 t -129.43 -63.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -140.93 -177.52 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -118.05 146.11 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -112.34 108.23 17.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -91.25 94.01 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -41.69 134.01 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -94.08 32.47 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 t0 172.36 83.14 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.416 1.073 . . . . 0.0 109.222 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.88 10.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -179.75 42.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -78.09 -4.95 49.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.23 -42.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.4 t60 77.49 79.75 0.13 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.579 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -43.71 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.572 1.827 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.0 m -46.55 159.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.97 158.92 7.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.77 168.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.0 112.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 66.5 136.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -176.03 152.48 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.8 109.69 0.26 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -105.9 147.95 28.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 p -178.15 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.4 161.62 5.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -162.62 173.1 14.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 0.743 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.64 161.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 10' ' ' VAL . 6.3 p -171.41 117.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.49 178.22 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -99.77 92.6 5.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -72.0 166.03 23.03 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -72.39 151.72 42.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -139.03 142.92 38.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -130.31 163.32 48.74 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -17.48 19.68 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.3 p -70.71 -46.49 62.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.6 p -90.36 112.26 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.79 90.09 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -80.71 161.18 24.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 11.5 t -80.37 119.34 76.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -15.96 20.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' HE1' ' A' ' 48' ' ' MET . 0.4 OUTLIER -163.22 156.08 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 166.85 3.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.1 -152.74 21.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -148.23 109.12 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.0 tp -51.85 149.78 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 p -130.43 -62.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -173.74 160.69 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -84.29 170.4 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 p -120.06 -0.67 10.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.2 m -121.34 160.29 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.91 179.62 7.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.01 129.31 17.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.47 33.91 41.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.31 129.32 48.98 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.41 121.4 37.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.598 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG2' HG11 ' A' ' 59' ' ' VAL . 15.9 m -124.48 171.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -111.99 153.65 26.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . . . -56.94 110.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.0 -23.63 6.51 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.2 m -74.52 -179.39 4.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.652 ' HB2' HG22 ' A' ' 56' ' ' THR . 0.9 OUTLIER -122.49 133.48 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.644 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.6 p90 -120.15 -7.75 9.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.0 176.72 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -139.25 179.82 6.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.465 ' HE1' ' O ' ' A' ' 24' ' ' SER . 15.0 ptm -158.19 144.22 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -97.67 103.62 15.57 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.98 138.51 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mmt 54.26 45.12 27.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 56.57 24.82 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.348 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 144.92 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -92.32 115.53 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 ttt -108.19 140.91 40.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.4 OUTLIER -82.84 143.75 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -110.54 116.19 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.1 p30 -109.18 163.04 13.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' A' ' 39' ' ' VAL . 18.1 m -88.73 135.74 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 1.8 tt0 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 76.2 mm-40 -152.36 132.35 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' GLU . 3.1 ptt180 -36.86 154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.42 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 159.5 -142.6 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -130.82 125.55 33.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 110.354 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.644 HG11 ' CD1' ' A' ' 45' ' ' TYR . 75.5 t -84.43 129.4 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -122.32 160.9 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.192 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.8 t80 -83.74 119.79 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 67' ' ' TYR . 19.1 mm -115.44 -60.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -102.35 148.23 25.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -72.57 149.96 91.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.95 12.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.83 9.43 24.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.8 169.23 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.4 p -91.33 101.75 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.82 135.59 52.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.68 152.8 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 129.13 39.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.14 58.58 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.0 175.85 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.38 145.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -124.75 -56.95 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -145.78 177.89 8.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 170.1 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.42 HD11 ' HA3' ' A' ' 63' ' ' GLY . 2.8 tm? -134.52 116.64 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.82 93.8 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 mt -44.17 118.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -102.88 15.46 29.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -164.36 67.93 1.45 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.79 8.1 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 t 41.36 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.069 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.69 75.95 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.236 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -132.82 119.88 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -80.31 154.14 74.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.618 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -58.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.4 p -159.85 166.29 30.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.42 -150.27 14.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.67 43.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 t -111.79 99.15 7.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.27 -58.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -129.2 153.75 47.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.9 166.9 3.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.39 -175.54 17.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -167.93 165.53 13.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 110.031 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m 60.53 151.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.96 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 -60.59 0.61 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 m -44.84 126.24 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -119.84 96.84 5.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 108.237 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -42.86 152.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.79 141.36 51.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.29 150.8 33.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttp 64.3 66.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.79 105.31 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -142.15 -65.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.82 ' O ' HG12 ' A' ' 19' ' ' VAL . 5.8 m-20 51.26 98.39 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.19 9.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -108.53 39.65 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.82 HG12 ' O ' ' A' ' 16' ' ' ASP . 11.6 p -129.36 127.49 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 84' ' ' LEU . 4.1 mt -90.43 86.86 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -81.24 167.46 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -91.42 119.29 68.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.09 18.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.558 1.82 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.3 158.27 26.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.11 168.37 5.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.46 -139.08 5.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -164.89 109.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.81 151.84 7.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 p -133.58 -54.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -169.11 -177.28 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -115.4 168.89 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -116.98 10.2 13.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.5 m -135.73 153.46 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.85 179.76 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -45.16 126.91 6.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.48 37.74 19.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.39 135.15 51.6 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 63' ' ' GLY . 0.2 OUTLIER -102.21 134.46 45.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.561 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -139.77 -178.41 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -98.63 158.16 15.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.772 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -63.75 106.0 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.52 -32.85 3.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -58.07 161.02 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.8 p -93.96 133.13 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.757 ' CD1' HG11 ' A' ' 65' ' ' VAL . 7.7 p90 -114.56 -22.72 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.618 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -156.94 -179.91 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -139.6 175.88 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -153.05 161.17 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 25.2 tt0 -120.64 106.28 11.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.54 142.68 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 52.49 36.91 21.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt 67.1 10.14 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 54' ' ' ILE . 2.1 ttm -114.42 147.45 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 53' ' ' MET . 29.4 mm -98.0 126.46 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -120.94 139.44 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.5 147.21 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.66 121.59 44.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -106.4 162.87 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -88.62 136.42 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.5 mm100 -64.42 -29.05 70.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 45.2 mt-10 -158.51 131.33 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.772 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -37.13 155.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.08 -136.1 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -128.14 128.61 45.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.757 HG11 ' CD1' ' A' ' 45' ' ' TYR . 72.0 t -89.71 131.5 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.735 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -127.45 141.79 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.86 122.91 29.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.91 -51.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -96.23 142.68 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 157.74 42.59 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.35 16.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.34 26.7 11.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.7 176.1 6.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.0 p -94.36 113.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.467 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -83.53 123.4 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -126.79 158.95 35.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.36 136.42 58.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.63 56.15 23.75 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.6 m -125.23 172.66 9.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.68 130.72 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -119.36 -58.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.735 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -150.93 -177.88 6.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.552 ' HD3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -128.64 147.74 50.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -103.96 143.2 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.667 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.3 mt-10 -126.06 95.43 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.4 mt -49.2 114.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -94.82 20.65 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -165.99 65.37 0.97 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -21.21 16.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.2 -56.43 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.6 90.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.45 145.2 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.67 153.72 72.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.7 t 56.56 99.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.03 158.11 28.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.629 1.206 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.74 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.4 p -58.56 149.72 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -113.53 -57.76 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.157 . . . . 0.0 110.917 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -153.51 128.04 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 0.809 . . . . 0.0 109.981 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -161.9 169.57 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.4 -123.95 1.02 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.078 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 71.29 141.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.962 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.02 166.08 17.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.055 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.01 -85.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 m 61.31 122.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 0.808 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.576 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.3 t -171.53 131.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 108.36 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 9' ' ' CYS . 12.5 m 45.98 -163.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -161.13 141.96 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -116.1 157.86 24.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -103.09 152.73 21.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.95 108.69 0.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -117.05 160.73 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.735 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -165.1 149.91 8.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.74 8.86 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.513 1.797 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 p -101.71 47.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 16' ' ' ASP . 2.4 p -141.09 144.48 26.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.5 87.66 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 24.5 mtt180 -93.34 163.8 13.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 t -84.99 123.72 73.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.2 15.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.53 154.97 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.957 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.0 149.1 50.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 -146.61 5.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -151.06 112.49 4.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.607 0.827 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 21.1 tp -57.94 148.09 26.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.8 p -129.11 -60.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -177.57 161.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -83.53 166.5 18.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -120.28 -0.22 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.8 m -115.01 163.37 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.93 179.6 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.23 134.86 4.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.93 42.02 21.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -63.48 129.24 39.58 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.615 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.56 177.69 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -68.5 92.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.4 -15.7 2.5 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -79.95 -174.02 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 56' ' ' THR . 3.4 p -123.24 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.982 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.1 p90 -114.96 -18.22 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.588 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -160.86 -175.84 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.8 178.84 7.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 75' ' ' LEU . 18.0 ptm -161.45 145.66 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.29 104.02 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' MET . 1.5 p -135.35 153.52 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.377 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 53.76 26.24 5.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 73.05 5.98 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.42 ' CG ' ' O ' ' A' ' 50' ' ' VAL . 9.0 ptp -123.37 148.01 46.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.0 mm -84.66 109.03 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.55 139.74 34.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 55' ' ' MET . 0.6 OUTLIER -80.78 148.24 30.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 57' ' ' LEU . 6.3 mt -111.18 121.03 44.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' SER . 44.5 m-20 -105.89 164.79 11.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.1 m -88.18 141.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.371 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.507 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 2.1 mp0 -67.22 -26.78 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 46.9 mt-10 -159.52 135.42 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.38 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.445 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 159.45 -142.4 8.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 5.4 mtt180 -131.51 139.01 49.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.982 HG21 ' HB2' ' A' ' 45' ' ' TYR . 70.9 t -89.46 136.45 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 6.0 mmtt -126.64 160.3 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.5 t80 -87.98 114.85 24.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.418 HD13 ' O ' ' A' ' 67' ' ' TYR . 19.2 mm -111.27 -60.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.05 149.74 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.35 147.7 95.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.03 125.75 9.51 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.449 1.763 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.05 22.25 6.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.01 169.73 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 74' ' ' VAL . 9.2 p -86.62 103.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -68.16 115.74 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.17 154.51 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 132.0 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.95 59.05 10.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.7 m -132.2 172.83 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.8 p -97.14 140.45 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.9 t -126.59 -61.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -139.0 178.51 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.388 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 146.29 44.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 85' ' ' GLU . 1.2 tm? -105.82 135.98 46.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' HD13 ' A' ' 84' ' ' LEU . 8.1 tt0 -126.25 94.47 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.4 mt -45.78 143.03 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.49 -8.67 58.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.4 94.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -16.71 20.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 111.059 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -59.71 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.965 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -123.13 -141.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' CG2' ' NH2' ' A' ' 62' ' ' ARG . 2.5 p -173.69 141.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -62.41 117.97 35.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.675 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.98 25.85 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.53 153.02 12.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.74 120.75 0.72 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 125.95 9.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.6 p -123.27 145.85 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.65 -58.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -176.13 166.71 2.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 0.0 110.046 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -149.42 -59.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.989 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.08 152.76 29.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.429 1.081 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -163.01 141.42 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -167.43 158.1 11.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.04 116.25 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -164.62 152.93 12.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.472 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.05 58.31 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 108.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.7 t -101.37 152.54 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.66 147.2 25.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.65 77.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.32 75.05 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -147.34 78.12 1.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 60.0 107.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.4 88.0 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' CG ' ' OE1' ' A' ' 61' ' ' GLU . 18.5 Cg_endo -74.94 54.57 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' LEU . 66.3 p -111.78 -52.8 2.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.362 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.68 112.74 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 HD23 ' A' ' 84' ' ' LEU . 16.4 mt -82.27 88.02 6.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -83.18 151.42 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.433 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 47.5 t -70.69 124.09 90.3 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -18.4 18.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.9 158.9 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.72 166.16 9.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.57 -137.92 4.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.43 106.5 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.796 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 tp -51.9 150.03 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 30' ' ' GLN . 54.4 p -125.74 -71.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.447 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' OG1' ' A' ' 29' ' ' THR . 12.0 pt20 -168.95 178.34 4.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.08 152.91 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 p -98.52 -6.07 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.437 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.8 m -118.18 158.54 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -82.63 173.63 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.78 119.36 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' ARG . . . 64.16 34.53 90.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -65.97 130.15 32.91 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -91.65 142.98 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.642 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -147.51 178.63 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 10.6 pt-20 -116.25 -168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 62' ' ' ARG . . . -93.05 99.76 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.68 -10.44 3.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -90.26 -175.33 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.567 ' HB2' HG22 ' A' ' 56' ' ' THR . 59.5 p -126.94 131.21 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.962 ' CB ' HG21 ' A' ' 65' ' ' VAL . 2.0 p90 -109.77 -17.77 13.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.42 174.72 14.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -139.05 -179.64 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 ptm -156.6 167.67 29.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.9 tt0 -129.24 99.52 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.5 p -124.36 139.63 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.33 29.35 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 70.33 9.42 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.3 mtt -115.52 133.7 55.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 25.7 mm -83.66 123.0 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' THR . 6.7 tpt -118.96 140.37 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.5 OUTLIER -84.02 150.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -114.12 108.23 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.052 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -100.83 169.73 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 40' ' ' GLU . 32.5 m -102.8 145.7 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -76.38 -22.86 54.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' OE1' ' CG ' ' A' ' 17' ' ' PRO . 45.7 mt-10 -152.87 136.39 15.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' GLU . 2.3 mtp180 -37.48 157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.75 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 150.84 164.28 11.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 36' ' ' GLY . 4.5 ttp180 -84.84 136.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.962 HG21 ' CB ' ' A' ' 45' ' ' TYR . 53.1 t -89.57 139.62 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 16.1 tttt -127.56 161.49 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.28 127.07 36.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.574 HG22 ' HG2' ' A' ' 69' ' ' LYS . 29.7 mm -116.14 -58.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG2' HG22 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -108.77 139.7 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.96 145.85 16.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.41 5.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 122.12 1.0 10.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.6 171.23 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 74' ' ' VAL . 8.2 p -86.56 113.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.69 121.28 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.98 154.49 35.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.0 132.22 51.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.42 57.93 15.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -132.85 170.96 14.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -94.92 137.48 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.09 -55.93 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -148.91 177.13 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -115.26 159.85 20.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.75 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.4 tm? -124.36 126.47 46.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.584 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.3 tp10 -109.03 93.56 4.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.0 mt -42.56 119.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.04 -9.01 59.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -145.8 88.94 6.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.46 20.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.582 1.833 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 t 61.93 141.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 110.017 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 42.4 84.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 92' ' ' VAL . 78.3 t -114.03 72.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 93' ' ' HIS . 2.2 p-80 -173.28 89.51 0.38 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.627 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 148.21 34.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.76 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.06 165.89 11.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.44 133.31 10.84 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.18 11.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 123.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -88.03 137.66 32.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.422 1.076 . . . . 0.0 110.985 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 p -171.67 -58.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.24 154.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.53 -149.33 5.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.98 167.19 31.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 0.803 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -133.78 135.58 43.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.91 124.78 25.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 9' ' ' CYS . 45.7 m -73.15 171.59 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.51 ' N ' HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER -66.09 116.43 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.31 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.1 m -146.32 173.71 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -65.81 159.16 25.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.87 86.32 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.39 176.26 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.6 70.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -126.49 -67.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.68 106.77 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.24 13.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 83' ' ' ARG . 68.1 p -107.91 51.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 19' ' ' VAL . 4.2 p -135.61 110.15 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -84.76 94.91 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -92.88 159.45 15.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 34.1 t -82.88 119.5 74.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -12.78 21.41 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.41 1.742 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 146.9 4.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 162.09 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.44 -139.34 5.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HE3' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -155.9 119.78 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.265 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 75' ' ' LEU . 16.3 tp -63.8 154.8 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 p -136.07 -69.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -162.67 -175.91 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -111.21 172.22 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -120.19 6.48 10.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.0 m -123.41 167.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.66 179.91 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.41 131.7 3.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' O ' ' NE ' ' A' ' 64' ' ' ARG . . . 43.95 40.11 5.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -61.45 141.6 47.94 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -110.39 140.05 44.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.635 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.96 172.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -103.38 158.08 16.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.479 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.74 93.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.99 -20.28 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.565 1.166 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 15.0 t -78.68 -177.14 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 0.0 109.966 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.476 ' HB2' HG22 ' A' ' 56' ' ' THR . 27.2 p -119.11 133.33 55.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.853 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.2 p90 -118.12 -8.49 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -169.21 -176.57 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -142.76 -179.53 6.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.98 150.22 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 36.1 tt0 -107.92 112.05 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 p -131.52 140.35 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.32 37.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.35 24.11 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.5 139.57 52.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 40.8 mm -92.78 116.12 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 mtp -115.71 139.44 50.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.132 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.6 OUTLIER -81.31 145.54 30.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.47 131.12 54.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 5.2 p30 -116.1 166.06 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -88.97 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -71.38 -26.04 62.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' ARG . 35.7 mt-10 -155.72 129.35 8.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.479 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.47 148.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.646 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 160.69 -141.45 7.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 36' ' ' GLY . 7.2 mtt180 -129.89 131.52 46.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.853 HG21 ' CB ' ' A' ' 45' ' ' TYR . 70.6 t -83.96 143.58 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.668 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 2.1 tttt -134.5 161.98 33.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.13 126.35 35.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.4 mm -121.12 -70.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -90.1 133.71 34.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -53.56 148.39 18.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.576 1.83 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.92 6.02 23.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.62 176.84 8.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 0.733 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 1.3 p -97.18 114.03 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -74.62 111.6 9.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.47 149.34 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.168 . . . . 0.0 110.329 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 111.39 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.7 51.13 2.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.24 -171.98 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -106.23 146.87 12.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.1 t -123.64 -64.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.668 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -142.39 -176.82 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.458 ' CD ' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -120.86 143.59 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.0 OUTLIER -100.68 133.78 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.512 ' N ' HD13 ' A' ' 84' ' ' LEU . 14.2 tt0 -121.56 100.01 6.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.7 mt -67.05 109.81 3.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -79.71 -4.59 52.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.28 101.1 1.39 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.15 3.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -110.71 104.55 13.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 110.056 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -122.03 90.13 3.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 m -86.06 164.36 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 4.6 m80 -129.9 130.86 23.2 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.582 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 93' ' ' HIS . 18.2 Cg_endo -74.95 130.36 13.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.69 148.12 25.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 97' ' ' PRO . . . -73.18 -104.01 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' A' ' 96' ' ' GLY . 18.3 Cg_endo -75.01 65.03 6.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.81 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.03 145.63 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.6 -58.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.046 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.667 HD21 HD12 ' A' ' 84' ' ' LEU . 9.0 mt -116.98 87.6 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -81.97 164.47 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.3 t -84.0 120.64 75.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.06 150.23 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.78 172.93 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.28 -134.5 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 109.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.553 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 tp -55.53 137.68 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 p -118.06 -66.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -161.77 -176.79 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -114.67 166.53 11.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -113.96 6.29 16.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.3 m -137.41 153.75 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.93 178.34 7.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.02 138.42 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.64 37.24 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.568 1.167 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -64.15 136.09 40.18 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.9 t60 -96.96 136.12 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -142.05 -176.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -103.26 156.37 17.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -63.51 98.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.58 -26.91 3.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.151 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.24 160.45 18.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 0.742 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -92.85 132.93 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.937 ' CD1' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -115.15 -17.12 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.582 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.4 178.4 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.0 -178.9 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -163.82 165.72 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 111.019 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 20.3 tt0 -123.6 117.19 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.42 144.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 50.08 37.5 14.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mttt 63.49 27.76 15.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.7 mtt -132.83 138.76 47.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 25.2 mm -92.78 118.81 39.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.7 ttm -115.86 140.88 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.45 150.91 29.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.6 119.3 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -108.71 163.02 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.664 ' HB ' HD11 ' A' ' 84' ' ' LEU . 27.5 m -89.64 139.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -71.61 -26.16 62.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 21.9 mt-10 -153.55 125.44 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.784 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 10.1 ptt-85 -35.9 153.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.453 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 162.27 -142.15 7.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 56.7 mtt180 -128.05 118.09 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.766 . . . . 0.0 110.222 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.937 HG11 ' CD1' ' A' ' 45' ' ' TYR . 57.5 t -85.57 141.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.677 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -143.85 138.36 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.75 126.32 32.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 83' ' ' ARG . 1.4 mt -112.46 -48.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.83 134.77 34.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.55 148.76 17.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.34 5.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.66 26.82 3.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.99 176.49 6.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -95.4 111.71 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -80.19 125.6 30.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.43 158.53 38.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.62 136.48 58.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.87 61.24 7.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -131.81 174.01 10.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.57 141.96 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.31 -58.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -153.05 159.38 42.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' HD3' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -108.12 154.06 22.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.071 . . . . 0.0 110.349 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.667 HD12 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -109.09 143.64 38.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.352 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.756 HD11 ' HG ' ' A' ' 84' ' ' LEU . 7.2 mt -103.56 86.16 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 6.1 mtt85 -85.4 153.86 22.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.585 ' HB2' HD11 ' A' ' 75' ' ' LEU . 36.4 t -84.21 136.77 40.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.936 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -17.24 19.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.63 153.49 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.39 172.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.99 -137.38 4.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -157.34 113.56 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 71' ' ' PRO . 19.8 tp -59.2 153.01 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.7 p -127.78 -62.23 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -168.52 176.92 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -107.03 138.48 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' ' 46' ' ' ALA . 41.9 p -84.72 -11.3 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.599 1.187 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.5 m -118.19 165.07 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.36 179.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -49.85 119.92 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.46 61.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.4 1.063 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -59.83 130.52 49.74 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -107.01 112.96 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 109.593 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -120.11 -179.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -112.23 155.37 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.804 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.31 93.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.87 -19.1 3.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -78.59 -174.17 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 p -120.77 134.96 55.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.828 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.6 p90 -118.09 -11.42 10.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HA ' HG23 ' A' ' 32' ' ' THR . . . -165.37 -174.7 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -141.96 178.6 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.5 156.95 26.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 24.4 tt0 -119.36 112.25 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.0 141.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 57.41 35.73 26.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 19.51 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.7 mtt -125.11 142.31 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 16.0 mm -92.81 125.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ttt -124.77 140.82 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.25 149.45 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.103 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.72 122.99 49.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 43' ' ' SER . 1.3 p-10 -115.45 166.86 11.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.668 ' HB ' HD11 ' A' ' 84' ' ' LEU . 27.7 m -94.63 143.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' C ' ' CG ' ' A' ' 61' ' ' GLU . 1.6 mt-30 -77.96 -23.63 48.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 15.8 mt-10 -153.16 123.14 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.804 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -36.18 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.6 -139.55 5.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 1.7 mtt85 -135.56 120.14 18.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.828 HG11 ' CD1' ' A' ' 45' ' ' TYR . 58.1 t -83.97 144.4 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.567 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -137.27 162.05 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.31 128.59 34.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.418 HG22 ' HG2' ' A' ' 69' ' ' LYS . 3.1 mm -126.36 -69.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' HG22 ' A' ' 68' ' ' ILE . 4.1 mmmt -91.7 131.91 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.11 148.26 41.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.659 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 129.1 12.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.423 1.749 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.44 1.58 23.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.89 176.64 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.58 105.75 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.44 131.47 45.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.78 152.4 43.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 120.32 11.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 55.41 5.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.5 m -129.27 172.31 11.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.42 140.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.7 t -119.97 -54.6 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -152.77 -176.72 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.83 148.26 35.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.756 ' HG ' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -124.03 114.56 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -86.97 90.05 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -81.63 165.86 20.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.465 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 2.4 t -84.04 114.17 52.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.95 18.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.36 154.75 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.051 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 171.54 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.454 ' CA ' ' HB ' ' A' ' 50' ' ' VAL . . . 160.44 -140.45 6.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -158.12 121.83 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 75' ' ' LEU . 15.5 tp -64.91 153.52 40.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.5 p -130.22 -69.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -166.06 170.05 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -100.62 164.6 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.2 p -120.51 4.59 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -120.72 158.19 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.63 173.17 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.62 130.0 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.58 37.05 32.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 129.44 43.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -94.42 127.69 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.652 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.74 175.55 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.22 155.94 19.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.631 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -65.8 94.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -13.03 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -82.81 -174.0 5.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HG22 ' A' ' 56' ' ' THR . 82.8 p -124.94 133.39 53.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.775 ' CB ' HG21 ' A' ' 65' ' ' VAL . 4.5 p90 -116.17 -10.79 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.39 176.57 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.67 177.96 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -157.27 163.54 38.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 35.2 tt0 -123.78 106.65 10.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' HB ' ' CA ' ' A' ' 26' ' ' GLY . 3.2 p -129.13 140.31 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.56 35.49 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp 64.33 20.35 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.1 mtt -124.14 140.48 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 32.3 mm -91.89 115.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.606 1.191 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.8 ttt -116.3 140.93 48.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.8 OUTLIER -83.07 146.05 28.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.454 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.81 124.83 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 43' ' ' SER . 3.6 p30 -116.91 168.82 9.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.583 HG23 ' HA ' ' A' ' 41' ' ' ALA . 17.2 m -98.01 143.44 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -80.58 -23.85 39.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ARG . 63.4 mm-40 -149.29 133.17 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.631 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -35.98 150.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.33 161.34 10.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 140.6 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.775 HG21 ' CB ' ' A' ' 45' ' ' TYR . 98.9 t -88.28 143.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.635 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -126.54 159.86 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.507 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.9 t80 -89.74 118.55 29.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.507 HD13 ' O ' ' A' ' 67' ' ' TYR . 22.4 mm -117.62 -72.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -89.59 133.93 34.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.097 . . . . 0.0 109.26 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.49 154.68 63.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 128.03 11.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.08 13.31 11.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.67 172.55 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.85 122.76 45.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -83.62 125.26 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.93 153.86 46.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.234 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.54 130.01 43.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.7 54.57 24.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 m -129.86 172.64 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.48 148.53 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.69 -51.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -155.45 -178.76 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 167.87 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.431 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.7 tm? -131.3 129.39 41.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.1 p . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.27 88.1 2.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -76.94 149.76 35.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -71.69 116.21 45.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.52 20.12 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.565 1.824 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' HE3' ' A' ' 48' ' ' MET . 16.5 m -163.38 153.21 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -179.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 154.7 -133.56 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -164.82 114.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.88 159.15 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.9 p -139.16 -62.2 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -167.46 -176.47 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -114.71 178.22 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -124.97 7.28 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.35 156.43 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -179.94 6.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.98 131.45 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.11 45.45 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 134.32 33.67 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -107.57 132.77 52.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.34 -175.96 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.82 155.8 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -63.8 93.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.07 -24.25 1.91 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -74.48 -176.02 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.396 0.704 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.5 p -118.94 130.23 55.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.702 ' CB ' HG21 ' A' ' 65' ' ' VAL . 5.8 p90 -111.41 -20.08 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -161.03 179.63 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -140.62 178.91 7.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.425 ' HE3' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -161.76 162.69 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 21.1 tt0 -120.94 118.93 31.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.226 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' MET . 3.1 p -135.2 138.36 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 49.4 43.19 23.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mttp 62.26 22.24 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -123.65 135.14 53.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mm -91.58 117.44 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.4 ttp -114.56 140.44 48.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.35 144.58 26.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.93 114.6 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -102.47 163.61 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.605 HG23 ' HA ' ' A' ' 41' ' ' ALA . 11.5 m -92.75 130.77 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -66.27 -33.04 74.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' ARG . 59.1 mm-40 -147.29 127.11 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.447 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.36 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 161.06 -145.96 11.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -120.61 124.65 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.702 HG21 ' CB ' ' A' ' 45' ' ' TYR . 99.5 t -86.15 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.677 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -141.78 143.68 33.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.96 121.99 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 68' ' ' ILE . 17.6 mm -101.16 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -90.19 130.5 36.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -48.1 158.44 0.56 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.33 9.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.425 1.75 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.63 35.36 3.82 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.22 173.41 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 0.698 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 74' ' ' VAL . 12.0 p -95.64 102.44 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.23 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -69.9 128.08 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.87 153.2 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.0 133.68 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.197 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.86 59.73 9.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -135.42 176.07 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.72 135.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -122.17 -58.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -156.55 165.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.4 166.96 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.208 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.528 HD11 ' HA3' ' A' ' 63' ' ' GLY . 3.5 tm? -124.05 128.58 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.2 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD11 ' HG ' ' A' ' 84' ' ' LEU . 4.0 mt -77.06 89.03 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -82.21 156.79 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.443 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 22.4 t -79.87 119.65 77.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -16.88 19.87 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.0 148.75 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.941 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.71 175.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.54 -139.88 6.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.916 ' HE2' HG23 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -159.32 121.89 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.79 . . . . 0.0 109.359 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.96 144.6 55.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.7 p -123.3 -58.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -170.86 -177.56 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -119.11 173.54 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.1 p -121.84 12.16 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.7 148.06 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.81 178.59 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.73 131.77 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.29 39.48 5.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.32 138.88 45.54 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -102.73 138.24 39.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.68 -175.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -114.16 155.9 25.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.599 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -66.28 98.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.75 -6.57 5.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.6 1.188 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -90.07 -173.69 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 56' ' ' THR . 40.1 p -120.1 135.64 54.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.889 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.4 p90 -112.47 -13.77 13.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -167.46 -178.46 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -139.11 179.47 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.9 162.19 31.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -120.2 116.32 25.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.23 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -136.03 138.18 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.87 39.96 23.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt 58.2 28.76 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtm -131.78 151.69 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.77 130.13 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 17.0 ttt -134.14 141.09 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 44' ' ' SER . 1.2 m -76.42 148.42 37.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -111.55 112.5 24.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -92.87 174.67 7.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.542 HG13 ' HD2' ' A' ' 45' ' ' TYR . 2.6 m -102.39 151.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -71.62 -6.62 42.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 0.5 OUTLIER 163.93 155.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.261 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.599 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.11 151.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.475 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 145.94 160.79 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.24 130.59 34.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' A' ' 45' ' ' TYR . 93.5 t -84.2 150.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.608 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -134.13 162.01 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -90.98 122.52 33.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mm -119.59 -70.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -88.61 135.11 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -59.87 148.1 77.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.83 5.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.54 1.49 8.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.94 175.42 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.277 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.916 HG23 ' HE2' ' A' ' 27' ' ' LYS . 1.8 p -93.73 116.01 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.23 155.08 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 122.3 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.67 54.54 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -129.21 171.5 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -99.61 138.93 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.59 -54.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -152.58 -178.61 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -109.18 157.89 18.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.253 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.491 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -124.98 115.98 21.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 0.0 109.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.623 HD11 ' HG ' ' A' ' 84' ' ' LEU . 1.9 mt -74.66 97.91 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -92.14 151.1 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 75' ' ' LEU . 39.0 t -76.52 126.93 85.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.94 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.72 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 165.93 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.48 -142.26 7.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' A' ' 74' ' ' VAL . 1.5 mttp -156.13 110.79 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 tp -52.91 159.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -138.39 -62.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.78 -178.18 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -116.78 163.51 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 p -112.15 7.18 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.1 m -127.32 155.01 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.12 178.97 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 125.9 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.52 37.48 49.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -61.83 131.49 46.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -94.25 126.0 39.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 109.641 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.73 -175.7 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -117.38 156.42 27.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.37 101.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.87 -9.68 6.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -85.8 -173.66 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 p -119.81 136.89 54.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.731 ' CB ' HG21 ' A' ' 65' ' ' VAL . 1.4 p90 -115.85 -14.28 11.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -171.95 -174.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.376 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.45 178.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.28 160.11 38.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -117.53 114.69 23.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 144.59 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 52.19 44.77 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.14 34.07 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -138.55 147.47 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 132.88 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.414 ' HG2' ' N ' ' A' ' 56' ' ' THR . 1.9 ttm -136.54 140.07 42.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.414 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.8 OUTLIER -77.75 151.0 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 110.406 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -112.22 131.92 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.39 169.43 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -95.1 144.51 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.8 tm0? -70.98 -17.65 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.5 mt-10 -175.42 149.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.465 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -36.04 148.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.477 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 149.46 160.01 8.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 15.7 mtp180 -85.36 134.29 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 0.717 . . . . 0.0 110.299 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.731 HG21 ' CB ' ' A' ' 45' ' ' TYR . 93.7 t -90.65 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.532 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -127.67 162.1 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.75 124.26 36.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.28 -60.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -89.0 124.63 34.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.77 148.65 3.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 119.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.03 23.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.35 176.66 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.1 p -91.13 114.26 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.466 HD12 ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -84.9 119.51 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.4 152.12 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 116.73 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.25 54.3 3.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.73 173.24 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.29 145.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.29 -66.24 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -136.19 -175.64 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.406 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.7 tpp180 -113.59 146.24 40.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.06 111.18 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 19' ' ' VAL . 4.1 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.777 HD11 ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -87.39 91.02 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 3.8 mtt85 -87.51 150.94 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 27.2 t -78.6 138.87 58.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.61 11.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 m -164.02 153.86 14.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.38 170.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.75 -137.99 5.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -157.79 115.1 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB2' HD23 ' A' ' 75' ' ' LEU . 17.9 tp -64.35 158.13 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.7 p -138.45 -57.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -178.46 173.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.0 p90 -102.81 166.65 10.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 p -113.28 8.53 18.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.5 m -124.66 157.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -179.93 7.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.8 125.14 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.03 35.89 65.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.02 131.02 44.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -102.1 108.88 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 109.567 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -112.51 -175.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -110.22 156.16 21.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.868 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -65.46 93.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.31 -15.03 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -80.58 -174.31 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 56.7 p -119.28 136.44 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.858 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.6 p90 -115.04 -15.63 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.95 -173.01 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -142.64 179.52 6.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -157.24 157.47 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 22.1 tt0 -119.77 113.48 20.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.48 143.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.1 mmm 53.42 35.67 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.09 26.27 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -129.19 136.85 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 21.0 mm -90.68 121.58 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 63.8 mtt -122.72 139.89 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -76.86 146.48 37.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' SER . 3.7 mt -105.94 139.77 39.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 168.65 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 m -92.4 143.91 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.437 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.9 mt-30 -63.22 -19.54 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' ARG . 10.5 tt0 173.11 149.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.868 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.49 139.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.27 -142.65 7.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -132.4 125.08 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.858 HG21 ' CB ' ' A' ' 45' ' ' TYR . 83.5 t -85.18 138.9 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.707 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -129.53 161.95 29.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -92.91 115.83 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 67' ' ' TYR . 16.4 mm -112.63 -71.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -81.51 121.33 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.01 148.04 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.603 1.19 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.499 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 117.47 4.92 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.08 5.36 9.7 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 176.24 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.5 p -93.21 116.14 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.661 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -77.25 128.38 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -125.95 148.76 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.89 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.61 47.9 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.7 m -125.33 172.64 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.0 p -88.07 145.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.05 -62.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -146.89 -173.84 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.67 151.61 28.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.777 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -125.07 120.04 30.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.646 ' HG ' HD12 ' A' ' 84' ' ' LEU . 1.3 mt -75.85 90.95 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -77.69 159.36 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.5 t -86.93 115.71 63.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -12.94 21.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.461 1.769 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' HE1' ' A' ' 48' ' ' MET . 0.1 OUTLIER -164.68 154.43 13.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 150.08 47.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.44 -148.57 6.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.13 107.32 4.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.791 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' HD23 ' A' ' 75' ' ' LEU . 14.3 tp -56.11 135.28 53.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -115.01 -65.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -164.45 -175.86 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -115.02 179.04 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 p -128.55 6.16 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.5 m -125.52 158.39 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 179.36 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.22 125.29 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.52 62.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.69 131.48 52.07 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -102.11 127.54 48.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' HG11 ' A' ' 59' ' ' VAL . 28.0 m -133.4 -177.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -111.23 155.11 23.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -57.95 106.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.29 -32.22 3.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -62.09 167.59 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 p -106.91 131.58 53.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.651 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.7 p90 -114.57 -21.87 10.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.651 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -159.19 -178.55 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -138.64 -178.95 5.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.444 ' HE1' ' O ' ' A' ' 24' ' ' SER . 14.7 ptm -159.94 152.15 20.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -111.53 113.71 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.36 146.17 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 mmt 54.63 30.45 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.15 11.66 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.5 mtt -117.0 153.94 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.4 mm -97.45 132.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.8 mtt -130.28 139.51 50.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.21 145.45 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -111.67 123.18 49.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' SER . 91.6 m-20 -107.99 168.24 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.536 ' HB ' HD11 ' A' ' 84' ' ' LEU . 16.8 m -92.42 130.89 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.2 mm-40 -59.6 -32.21 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 41.2 mt-10 -157.06 133.2 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.432 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 6.2 ptm180 -36.29 151.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.15 -138.78 5.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' H ' HD23 ' A' ' 84' ' ' LEU . 8.3 mtt180 -136.65 120.39 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.804 . . . . 0.0 110.283 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 45' ' ' TYR . 59.4 t -83.65 146.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.605 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -138.57 162.09 35.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.506 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -86.52 115.64 24.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 67' ' ' TYR . 14.8 mm -112.88 -68.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 131.69 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.0 146.31 15.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.95 5.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 2.73 10.98 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.39 176.37 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.7 116.35 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -80.44 136.05 36.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.171 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -133.54 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.66 131.39 49.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.67 59.66 7.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.08 173.21 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -96.45 145.0 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.5 -66.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -137.29 -179.4 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 143.95 39.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.646 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -126.3 109.52 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 19' ' ' VAL . 11.1 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -74.1 86.41 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 159.04 31.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 25.8 t -79.41 116.22 58.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.937 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.6 20.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 152.68 22.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 167.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.6 -152.15 21.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -146.33 110.4 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -54.73 149.95 10.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -128.29 -72.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -158.29 -174.32 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.83 168.15 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.478 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 67.7 p -121.29 6.67 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 45' ' ' TYR . 4.6 m -125.81 163.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.8 179.68 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 124.4 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.85 75.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -54.93 126.73 39.25 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 63' ' ' GLY . 8.7 t-160 -103.29 120.39 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -132.45 176.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -103.13 155.83 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -56.42 108.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.57 -31.52 3.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -65.37 163.87 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 0.721 . . . . 0.0 109.977 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.451 ' HB3' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -107.72 130.62 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.989 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' HG11 ' A' ' 65' ' ' VAL . 29.2 p90 -114.11 -11.71 12.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -162.15 178.17 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' OE2' ' CG2' ' A' ' 32' ' ' THR . 2.9 mt-10 -135.53 179.74 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.92 150.02 13.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -109.74 112.95 25.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.51 148.12 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.8 mmm 50.6 41.08 25.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 60.23 18.34 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtt -122.39 152.41 40.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mm -101.67 104.27 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.7 mtt -102.9 140.15 37.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -85.74 150.47 24.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 mt -112.32 129.88 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' SER . 3.1 p30 -118.52 166.55 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 41' ' ' ALA . 33.1 m -90.7 131.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 61' ' ' GLU . 50.4 mm-40 -63.16 -32.65 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 9.1 mm-40 -147.88 131.74 17.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.466 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -36.59 150.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . 163.46 -147.42 13.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 7.6 mtt-85 -127.22 125.47 41.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.397 0.704 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.818 HG11 ' CD1' ' A' ' 45' ' ' TYR . 97.5 t -83.97 136.64 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -130.67 160.91 32.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.61 116.24 23.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 80' ' ' VAL . 21.1 mm -110.6 -65.75 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.611 ' CG ' HG13 ' A' ' 80' ' ' VAL . 5.9 mmpt? -93.65 146.98 23.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 148.39 98.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 120.49 6.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.98 -4.84 10.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.42 1.075 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.41 165.1 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.01 104.18 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -63.06 121.02 12.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -121.17 150.64 40.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.16 122.34 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.66 56.62 4.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.83 173.44 11.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.611 HG13 ' CG ' ' A' ' 69' ' ' LYS . 13.6 p -93.14 144.19 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.27 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -148.06 -179.19 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.0 166.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -140.46 105.65 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.1 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD22 ' HE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -85.19 89.23 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -79.46 161.88 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.688 ' HB2' HD13 ' A' ' 75' ' ' LEU . 3.9 t -79.56 115.21 51.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -10.17 21.17 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.6 m -167.83 153.25 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 175.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 152.43 -137.12 5.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 75' ' ' LEU . 1.5 mttt -170.38 123.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.48 158.1 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -139.11 -59.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -162.74 -177.77 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.8 167.32 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -114.73 5.59 15.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.8 m -134.9 160.84 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -179.74 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 130.05 11.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.76 53.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.49 133.5 47.79 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -104.8 126.24 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG2' HG11 ' A' ' 59' ' ' VAL . 18.8 m -133.1 177.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.55 156.1 17.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.853 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -62.77 92.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -21.76 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -67.64 -173.84 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.746 . . . . 0.0 110.038 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -118.21 132.18 56.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.888 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.4 p90 -118.76 -9.47 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -172.13 -177.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.39 172.49 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.86 160.1 43.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 47.7 tt0 -117.26 122.18 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 p -143.01 142.09 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 50.84 43.63 28.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt 59.49 19.77 8.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.1 mtm -124.32 146.16 48.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.4 mm -97.63 129.47 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.92 140.3 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.4 149.04 30.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -115.16 105.27 12.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.7 p30 -94.7 166.91 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 39' ' ' VAL . 4.5 m -88.94 139.75 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -26.78 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 26.3 mt-10 -154.43 126.78 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.853 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 5.6 ptm180 -36.85 151.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.625 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 155.26 -139.96 7.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -122.97 129.03 51.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.888 HG11 ' CD1' ' A' ' 45' ' ' TYR . 96.6 t -90.51 139.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.673 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -134.67 144.17 47.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.37 115.84 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.846 HG22 ' HE2' ' A' ' 69' ' ' LYS . 17.6 mm -96.76 -60.65 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.846 ' HE2' HG22 ' A' ' 68' ' ' ILE . 7.0 mmpt? -88.38 145.48 25.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.31 157.72 69.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.2 -5.79 6.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.112 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.68 164.74 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 0.734 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -89.38 136.34 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.3 OUTLIER -101.34 117.12 34.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -123.01 154.23 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.36 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.28 128.28 35.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.69 58.45 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.3 m -136.84 173.81 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 p -95.99 147.46 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.18 -55.88 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -159.09 167.8 28.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 163.32 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -114.67 143.7 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.717 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.4 tt0 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.544 HD11 ' HG ' ' A' ' 84' ' ' LEU . 3.1 mt -74.71 87.93 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -78.09 147.23 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.437 ' OG ' HD12 ' A' ' 75' ' ' LEU . 13.6 t -74.32 134.56 76.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -74.99 -21.76 15.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 165.28 4.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 172.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.11 -131.37 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLU . 64.8 tttt -162.41 115.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 15.7 tp -64.1 158.06 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -132.76 -64.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -171.77 167.43 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -93.5 159.08 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 p -104.88 -3.23 23.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.3 m -117.44 158.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -179.98 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.3 117.58 3.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.87 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -57.91 142.57 43.86 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -114.21 116.92 29.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -119.42 168.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.11 157.75 16.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.17 100.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.31 -13.56 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.3 m -85.41 -174.73 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.052 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -121.47 134.94 55.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.0 p90 -116.22 -15.1 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -166.21 -178.81 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CD ' HG23 ' A' ' 56' ' ' THR . 6.2 mt-10 -139.0 -179.39 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.01 154.88 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' LYS . 35.8 tt0 -114.97 116.44 28.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 145.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.5 mmm 53.53 27.4 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.42 13.61 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.3 mtp -119.48 139.83 51.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mm -88.13 131.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.1 mtp -131.01 138.87 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -81.6 150.67 28.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mt -113.13 125.91 54.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 p30 -115.41 167.34 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.79 133.51 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.85 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' ARG . 23.0 mt-10 -148.0 131.67 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.02 152.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.507 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 163.29 172.87 31.31 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 71.5 mtt180 -92.81 119.99 32.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.391 0.701 . . . . 0.0 110.304 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 45' ' ' TYR . 84.2 t -84.15 139.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.606 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -132.89 162.07 32.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.9 121.59 28.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.32 -69.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.381 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -89.19 144.02 26.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.236 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.23 147.4 91.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.462 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.6 Cg_endo -74.97 123.48 7.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.39 6.15 27.58 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.83 174.21 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 0.729 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -93.3 102.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.14 148.92 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -142.41 151.05 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.7 130.26 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.28 57.86 13.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.76 173.05 12.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.54 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -121.3 -68.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -134.45 -175.25 3.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -109.86 143.77 39.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.544 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -122.63 111.57 16.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.336 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.0 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD11 ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -84.61 87.55 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -80.02 159.61 26.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 t -90.31 131.9 37.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.43 10.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.493 1.786 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' HE1' ' A' ' 48' ' ' MET . 74.7 m -160.78 158.73 29.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 168.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.44 -138.12 4.81 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -162.33 106.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.7 tp -53.76 158.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.5 p -141.51 -53.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -175.22 166.54 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.32 136.37 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -73.24 -18.03 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 45' ' ' TYR . 6.2 m -105.23 164.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -101.46 179.76 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.68 123.68 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.69 26.87 74.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -51.28 137.26 29.7 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.409 ' CD2' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -111.26 108.4 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.561 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 33' ' ' VAL . 13.7 m -117.41 -177.14 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -118.15 155.76 29.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -61.25 100.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.2 -19.21 6.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 4.6 m -75.3 -176.09 2.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 p -119.01 131.46 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.979 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.729 ' CD1' HG11 ' A' ' 65' ' ' VAL . 2.3 p90 -117.0 -12.89 10.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -164.57 -175.5 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -144.97 177.72 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE1' ' O ' ' A' ' 24' ' ' SER . 13.0 ptm -155.03 161.02 41.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.5 tt0 -121.28 96.91 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -115.34 142.3 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 53.74 36.16 23.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.19 12.8 8.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -115.87 140.06 49.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 43.2 mm -89.06 127.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.5 ttm -126.78 140.97 51.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.02 147.85 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -112.91 117.68 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.2 p30 -106.96 166.86 10.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 m -90.44 139.83 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 3.8 mt-30 -68.49 -25.68 65.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 28.4 mt-10 -160.79 138.86 9.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.63 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.66 146.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.64 -164.41 35.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG3' ' CD2' ' A' ' 38' ' ' HIS . 18.8 mtm-85 -112.97 122.54 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 0.803 . . . . 0.0 110.24 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.729 HG11 ' CD1' ' A' ' 45' ' ' TYR . 83.5 t -85.35 131.29 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.547 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 ttpm? -122.63 162.07 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.555 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -85.19 122.47 29.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 67' ' ' TYR . 28.4 mm -118.43 -76.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.91 134.34 35.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -54.62 152.16 13.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.0 17.29 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.38 22.25 17.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.37 176.52 7.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 74' ' ' VAL . 7.2 p -94.38 104.64 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -71.83 140.06 49.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.236 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -138.15 155.67 48.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 137.28 57.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.51 58.19 15.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 p -97.28 139.67 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -121.17 -64.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -139.2 -176.69 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.07 153.41 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.65 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -120.31 104.46 10.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.659 HG23 ' HD3' ' A' ' 83' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -114.5 101.01 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -95.16 162.32 13.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 31.0 t -84.88 125.19 71.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.13 17.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.0 153.01 19.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.78 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.73 9.27 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.79 114.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 0.831 . . . . 0.0 109.241 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.63 ' HB2' HD23 ' A' ' 75' ' ' LEU . 17.7 tp -63.74 138.9 58.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.1 p -113.46 -68.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -170.1 177.12 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -95.4 170.89 9.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -129.82 16.43 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.477 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m -131.32 155.38 41.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 177.13 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.31 128.63 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.61 39.03 65.08 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -62.01 127.89 41.42 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.556 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.8 t-80 -104.91 142.66 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 38' ' ' HIS . 2.8 m -155.5 -178.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.24 162.36 14.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . . . -67.95 93.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.32 -25.03 0.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 44' ' ' SER . 15.4 t -79.58 -176.59 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.72 ' HB2' HG22 ' A' ' 56' ' ' THR . 0.9 OUTLIER -118.14 133.06 56.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.89 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.3 p90 -115.25 -17.94 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.529 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.67 -176.26 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.88 172.72 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -149.81 160.66 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' OE1' HD11 ' A' ' 54' ' ' ILE . 40.0 tt0 -119.77 106.18 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.0 p -130.11 140.25 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.93 36.95 27.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp 65.07 14.08 9.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.88 134.03 55.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.519 HD11 ' OE1' ' A' ' 49' ' ' GLU . 25.6 mm -89.55 115.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.0 tpt -111.14 140.61 45.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.6 OUTLIER -80.67 146.69 30.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 57' ' ' LEU . 7.0 mt -107.65 118.19 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -103.95 166.82 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 41' ' ' ALA . 24.8 m -98.3 129.54 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -33.46 74.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.711 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 6.1 mm-40 -146.81 134.53 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' GLU . 7.5 ptp180 -36.1 153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.641 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.06 167.15 14.82 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 6.1 mtt180 -85.57 130.72 34.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.89 HG21 ' HB2' ' A' ' 45' ' ' TYR . 95.1 t -84.0 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.483 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -130.23 161.19 31.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.48 122.13 33.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.0 mm -115.42 -66.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -92.99 146.33 23.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.87 151.89 88.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 120.66 6.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.45 7.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.08 161.18 24.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 74' ' ' VAL . 7.7 p -80.99 98.07 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.78 129.72 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.07 152.31 48.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.13 122.53 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.49 56.55 6.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 m -128.96 172.49 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.34 134.22 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 75' ' ' LEU . 48.5 t -118.18 -57.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -149.33 171.48 16.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.659 ' HD3' HG23 ' A' ' 19' ' ' VAL . 5.7 mmt85 -112.43 144.97 40.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.641 HD11 ' HA3' ' A' ' 63' ' ' GLY . 3.2 tm? -96.39 135.32 38.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.446 ' N ' HD13 ' A' ' 84' ' ' LEU . 9.2 tt0 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.0 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.29 101.88 5.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 23.6 mtt-85 -92.01 134.49 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -60.14 131.25 89.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.56 9.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.608 1.846 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -163.62 163.42 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 177.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.54 -139.84 6.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.69 100.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' A' ' 75' ' ' LEU . 34.2 tp -42.91 159.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.4 p -132.79 -61.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -178.92 166.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD1' ' CZ ' ' A' ' 67' ' ' TYR . 21.0 m-85 -90.93 162.51 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 46' ' ' ALA . 45.9 p -111.53 -5.25 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.641 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.3 m -117.79 167.1 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.89 179.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.26 127.16 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.56 38.07 34.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.25 129.91 50.26 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.38 114.68 26.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.751 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.48 ' CG1' HG11 ' A' ' 33' ' ' VAL . 12.1 m -120.46 169.37 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -104.11 153.66 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -62.22 92.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 109.316 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.49 -22.75 2.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 m -76.65 -175.26 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.082 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.2 p -122.36 134.67 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.868 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.2 p90 -118.38 -10.41 10.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 32' ' ' THR . . . -171.05 -176.59 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -147.31 173.47 12.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.89 163.79 37.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 45.1 tt0 -120.46 113.31 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.05 138.14 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.03 35.84 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt 66.11 14.72 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.8 mtp -121.49 145.34 48.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 6.9 mm -97.86 123.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -119.98 140.93 50.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -80.21 148.76 30.71 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.566 1.166 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.43 116.53 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.7 OUTLIER -109.96 166.56 10.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 41' ' ' ALA . 11.8 m -97.61 130.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.4 ' OE1' ' ND2' ' A' ' 58' ' ' ASN . 3.1 mp0 -69.55 -33.82 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -136.94 125.01 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.542 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.08 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.53 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 165.32 -158.88 31.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -120.22 124.6 46.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.868 HG11 ' CD1' ' A' ' 45' ' ' TYR . 91.0 t -84.54 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.582 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -128.31 161.57 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CZ ' ' CD1' ' A' ' 31' ' ' TYR . 2.9 m-85 -89.74 116.19 27.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -110.0 -68.27 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -89.87 125.8 35.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.69 153.53 4.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 125.65 9.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.22 10.65 10.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.06 165.18 19.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 p -91.5 108.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -69.92 132.89 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -132.28 152.83 51.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.18 139.54 57.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.38 61.59 6.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -134.77 -176.04 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 p -103.92 137.09 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -117.33 -65.49 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -144.87 -179.15 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.67 149.21 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.53 HD22 ' HA3' ' A' ' 63' ' ' GLY . 1.3 mt -126.18 114.85 18.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.7 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 45' ' ' TYR . 30.2 mt -73.84 92.16 2.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -91.22 144.6 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.323 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.624 ' HB2' HD13 ' A' ' 75' ' ' LEU . 9.5 t -50.73 106.83 0.69 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.45 160.71 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.42 155.73 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.29 -143.33 7.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.38 113.63 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.232 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' HD23 ' A' ' 75' ' ' LEU . 19.5 tp -56.15 132.86 51.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -109.18 -65.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -174.85 171.55 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -100.35 145.95 27.54 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.41 1.069 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 p -93.08 -15.52 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.595 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.7 m -108.25 162.99 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 173.6 7.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.92 122.24 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.17 33.44 64.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.418 1.074 . . . . 0.0 111.045 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -58.22 130.51 51.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.407 ' C ' HG13 ' A' ' 39' ' ' VAL . 20.2 t-80 -110.14 131.61 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.407 HG13 ' C ' ' A' ' 38' ' ' HIS . 27.8 m -153.38 -177.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -113.23 152.85 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.656 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -49.3 110.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.72 -31.69 3.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.61 156.01 36.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 0.784 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p -98.54 132.02 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.93 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.677 ' CD1' HG11 ' A' ' 65' ' ' VAL . 4.4 p90 -114.84 -17.82 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.89 174.75 14.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 56' ' ' THR . 15.0 mt-10 -144.3 -179.0 6.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.93 171.48 12.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.594 ' OE2' HD11 ' A' ' 54' ' ' ILE . 30.8 tt0 -126.18 112.44 15.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.21 141.0 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.5 mtm 58.59 29.6 18.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.28 22.67 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -130.54 123.5 29.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 54' ' ' ILE . 1.7 mp -76.08 120.44 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ttm -118.22 146.18 44.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' HG2' ' A' ' 47' ' ' GLU . 14.2 m -92.31 151.71 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.64 125.26 51.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -116.77 165.04 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 41' ' ' ALA . 33.4 m -90.41 135.39 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -30.34 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.1 mm-40 -141.53 125.24 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.459 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 3.8 ptt180 -36.12 150.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.63 1.206 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.24 -150.18 14.96 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 1.3 mtt180 -127.74 120.0 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 45' ' ' TYR . 48.0 t -87.2 141.12 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 14.7 tttt -139.52 162.08 35.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.86 132.14 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 mt -134.79 -47.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -107.3 123.08 47.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.387 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 146.05 28.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 129.43 12.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.59 -0.34 13.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.08 161.35 22.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p -86.57 129.35 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.624 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.3 OUTLIER -84.4 125.77 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 150.95 41.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 127.64 32.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.31 53.63 6.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.86 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 p -101.98 150.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 t -129.43 -63.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -140.93 -177.52 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -118.05 146.11 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -112.34 108.23 17.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.79 90.09 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -80.71 161.18 24.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 11.5 t -80.37 119.34 76.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -15.96 20.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' HE1' ' A' ' 48' ' ' MET . 0.4 OUTLIER -163.22 156.08 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 166.85 3.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.1 -152.74 21.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -148.23 109.12 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.0 tp -51.85 149.78 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 p -130.43 -62.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -173.74 160.69 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -84.29 170.4 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 p -120.06 -0.67 10.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.2 m -121.34 160.29 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.91 179.62 7.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.01 129.31 17.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.47 33.91 41.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.31 129.32 48.98 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.41 121.4 37.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.598 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG2' HG11 ' A' ' 59' ' ' VAL . 15.9 m -124.48 171.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -111.99 153.65 26.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . . . -56.94 110.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.0 -23.63 6.51 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.2 m -74.52 -179.39 4.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.652 ' HB2' HG22 ' A' ' 56' ' ' THR . 0.9 OUTLIER -122.49 133.48 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.644 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.6 p90 -120.15 -7.75 9.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.0 176.72 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -139.25 179.82 6.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.465 ' HE1' ' O ' ' A' ' 24' ' ' SER . 15.0 ptm -158.19 144.22 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -97.67 103.62 15.57 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.98 138.51 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mmt 54.26 45.12 27.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 56.57 24.82 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.348 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 144.92 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -92.32 115.53 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 ttt -108.19 140.91 40.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.4 OUTLIER -82.84 143.75 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -110.54 116.19 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.1 p30 -109.18 163.04 13.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' A' ' 39' ' ' VAL . 18.1 m -88.73 135.74 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 1.8 tt0 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 76.2 mm-40 -152.36 132.35 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' GLU . 3.1 ptt180 -36.86 154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.42 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 159.5 -142.6 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -130.82 125.55 33.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 110.354 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.644 HG11 ' CD1' ' A' ' 45' ' ' TYR . 75.5 t -84.43 129.4 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -122.32 160.9 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.192 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.8 t80 -83.74 119.79 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 67' ' ' TYR . 19.1 mm -115.44 -60.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -102.35 148.23 25.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -72.57 149.96 91.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.95 12.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.83 9.43 24.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.8 169.23 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.4 p -91.33 101.75 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.82 135.59 52.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.68 152.8 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 129.13 39.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.14 58.58 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.0 175.85 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.38 145.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -124.75 -56.95 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -145.78 177.89 8.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 170.1 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.42 HD11 ' HA3' ' A' ' 63' ' ' GLY . 2.8 tm? -134.52 116.64 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG23 ' HD3' ' A' ' 83' ' ' ARG . 11.6 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 84' ' ' LEU . 4.1 mt -90.43 86.86 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -81.24 167.46 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -91.42 119.29 68.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.09 18.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.558 1.82 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.3 158.27 26.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.11 168.37 5.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.46 -139.08 5.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -164.89 109.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.81 151.84 7.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 p -133.58 -54.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -169.11 -177.28 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -115.4 168.89 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -116.98 10.2 13.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.5 m -135.73 153.46 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.85 179.76 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -45.16 126.91 6.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.48 37.74 19.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.39 135.15 51.6 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 39' ' ' VAL . 1.6 t-160 -102.21 134.46 45.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.561 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.424 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 29.2 m -139.77 -178.41 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -98.63 158.16 15.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.772 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -63.75 106.0 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.52 -32.85 3.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -58.07 161.02 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.8 p -93.96 133.13 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.757 ' CD1' HG11 ' A' ' 65' ' ' VAL . 7.7 p90 -114.56 -22.72 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.618 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -156.94 -179.91 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -139.6 175.88 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -153.05 161.17 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 25.2 tt0 -120.64 106.28 11.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.54 142.68 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 52.49 36.91 21.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt 67.1 10.14 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 54' ' ' ILE . 2.1 ttm -114.42 147.45 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 53' ' ' MET . 29.4 mm -98.0 126.46 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -120.94 139.44 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.5 147.21 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.66 121.59 44.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -106.4 162.87 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -88.62 136.42 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.5 mm100 -64.42 -29.05 70.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 45.2 mt-10 -158.51 131.33 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.772 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -37.13 155.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.08 -136.1 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -128.14 128.61 45.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.757 HG11 ' CD1' ' A' ' 45' ' ' TYR . 72.0 t -89.71 131.5 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.735 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -127.45 141.79 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.86 122.91 29.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.91 -51.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -96.23 142.68 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 157.74 42.59 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.35 16.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.34 26.7 11.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.7 176.1 6.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.0 p -94.36 113.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -83.53 123.4 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -126.79 158.95 35.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.36 136.42 58.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.63 56.15 23.75 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.6 m -125.23 172.66 9.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.68 130.72 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -119.36 -58.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.735 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -150.93 -177.88 6.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.552 ' HD3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -128.64 147.74 50.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -103.96 143.2 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.667 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.5 87.66 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 24.5 mtt180 -93.34 163.8 13.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 t -84.99 123.72 73.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.2 15.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.53 154.97 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.957 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.0 149.1 50.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 -146.61 5.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -151.06 112.49 4.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.607 0.827 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 21.1 tp -57.94 148.09 26.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.8 p -129.11 -60.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -177.57 161.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -83.53 166.5 18.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -120.28 -0.22 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.8 m -115.01 163.37 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.93 179.6 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.23 134.86 4.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.93 42.02 21.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -63.48 129.24 39.58 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 63' ' ' GLY . 40.2 t-80 -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.56 177.69 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -68.5 92.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.4 -15.7 2.5 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -79.95 -174.02 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 56' ' ' THR . 3.4 p -123.24 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.982 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.1 p90 -114.96 -18.22 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.588 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -160.86 -175.84 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.8 178.84 7.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 75' ' ' LEU . 18.0 ptm -161.45 145.66 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.29 104.02 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' MET . 1.5 p -135.35 153.52 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.377 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 53.76 26.24 5.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 73.05 5.98 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.42 ' CG ' ' O ' ' A' ' 50' ' ' VAL . 9.0 ptp -123.37 148.01 46.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.0 mm -84.66 109.03 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.55 139.74 34.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 55' ' ' MET . 0.6 OUTLIER -80.78 148.24 30.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 57' ' ' LEU . 6.3 mt -111.18 121.03 44.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' SER . 44.5 m-20 -105.89 164.79 11.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.1 m -88.18 141.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.371 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.507 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 2.1 mp0 -67.22 -26.78 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 46.9 mt-10 -159.52 135.42 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.455 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.38 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . 159.45 -142.4 8.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 5.4 mtt180 -131.51 139.01 49.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.982 HG21 ' HB2' ' A' ' 45' ' ' TYR . 70.9 t -89.46 136.45 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 6.0 mmtt -126.64 160.3 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.5 t80 -87.98 114.85 24.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.418 HD13 ' O ' ' A' ' 67' ' ' TYR . 19.2 mm -111.27 -60.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.05 149.74 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.35 147.7 95.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.03 125.75 9.51 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.449 1.763 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.05 22.25 6.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.01 169.73 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.606 ' O ' HG13 ' A' ' 74' ' ' VAL . 9.2 p -86.62 103.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -68.16 115.74 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.17 154.51 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 132.0 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.95 59.05 10.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.7 m -132.2 172.83 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.8 p -97.14 140.45 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.9 t -126.59 -61.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -139.0 178.51 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.388 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 146.29 44.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 85' ' ' GLU . 1.2 tm? -105.82 135.98 46.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' HD13 ' A' ' 84' ' ' LEU . 8.1 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 HD23 ' A' ' 84' ' ' LEU . 16.4 mt -82.27 88.02 6.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -83.18 151.42 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.433 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 47.5 t -70.69 124.09 90.3 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -18.4 18.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.9 158.9 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.72 166.16 9.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.57 -137.92 4.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.43 106.5 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.796 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 tp -51.9 150.03 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 30' ' ' GLN . 54.4 p -125.74 -71.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.447 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' OG1' ' A' ' 29' ' ' THR . 12.0 pt20 -168.95 178.34 4.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.08 152.91 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 p -98.52 -6.07 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.437 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.8 m -118.18 158.54 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -82.63 173.63 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.78 119.36 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' ARG . . . 64.16 34.53 90.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -65.97 130.15 32.91 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -91.65 142.98 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.642 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -147.51 178.63 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 10.6 pt-20 -116.25 -168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 62' ' ' ARG . . . -93.05 99.76 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.68 -10.44 3.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -90.26 -175.33 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.567 ' HB2' HG22 ' A' ' 56' ' ' THR . 59.5 p -126.94 131.21 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.962 ' CB ' HG21 ' A' ' 65' ' ' VAL . 2.0 p90 -109.77 -17.77 13.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.42 174.72 14.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -139.05 -179.64 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 ptm -156.6 167.67 29.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.9 tt0 -129.24 99.52 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.5 p -124.36 139.63 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.33 29.35 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 70.33 9.42 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.3 mtt -115.52 133.7 55.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 25.7 mm -83.66 123.0 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' THR . 6.7 tpt -118.96 140.37 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.5 OUTLIER -84.02 150.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -114.12 108.23 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.052 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -100.83 169.73 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 40' ' ' GLU . 32.5 m -102.8 145.7 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -76.38 -22.86 54.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ARG . 45.7 mt-10 -152.87 136.39 15.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' GLU . 2.3 mtp180 -37.48 157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.75 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 150.84 164.28 11.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 36' ' ' GLY . 4.5 ttp180 -84.84 136.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.962 HG21 ' CB ' ' A' ' 45' ' ' TYR . 53.1 t -89.57 139.62 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 16.1 tttt -127.56 161.49 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.28 127.07 36.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.574 HG22 ' HG2' ' A' ' 69' ' ' LYS . 29.7 mm -116.14 -58.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG2' HG22 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -108.77 139.7 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.96 145.85 16.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.41 5.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 122.12 1.0 10.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.6 171.23 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 74' ' ' VAL . 8.2 p -86.56 113.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.69 121.28 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.98 154.49 35.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.0 132.22 51.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.42 57.93 15.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -132.85 170.96 14.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -94.92 137.48 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.09 -55.93 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -148.91 177.13 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -115.26 159.85 20.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.75 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.4 tm? -124.36 126.47 46.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.584 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.3 tp10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 19' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -84.76 94.91 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -92.88 159.45 15.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 34.1 t -82.88 119.5 74.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -12.78 21.41 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.41 1.742 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 146.9 4.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 162.09 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.44 -139.34 5.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HE3' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -155.9 119.78 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.265 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 75' ' ' LEU . 16.3 tp -63.8 154.8 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 p -136.07 -69.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -162.67 -175.91 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -111.21 172.22 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -120.19 6.48 10.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.0 m -123.41 167.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.66 179.91 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.41 131.7 3.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.445 ' O ' ' NE ' ' A' ' 64' ' ' ARG . . . 43.95 40.11 5.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -61.45 141.6 47.94 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -110.39 140.05 44.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.635 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.96 172.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -103.38 158.08 16.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.479 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.74 93.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.99 -20.28 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.565 1.166 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 15.0 t -78.68 -177.14 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 0.0 109.966 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.476 ' HB2' HG22 ' A' ' 56' ' ' THR . 27.2 p -119.11 133.33 55.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.853 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.2 p90 -118.12 -8.49 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -169.21 -176.57 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -142.76 -179.53 6.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.98 150.22 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 36.1 tt0 -107.92 112.05 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 p -131.52 140.35 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.32 37.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.35 24.11 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.5 139.57 52.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 40.8 mm -92.78 116.12 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 mtp -115.71 139.44 50.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.132 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.6 OUTLIER -81.31 145.54 30.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.47 131.12 54.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 5.2 p30 -116.1 166.06 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -88.97 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -71.38 -26.04 62.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' ARG . 35.7 mt-10 -155.72 129.35 8.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.479 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.47 148.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.646 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 160.69 -141.45 7.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 36' ' ' GLY . 7.2 mtt180 -129.89 131.52 46.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.853 HG21 ' CB ' ' A' ' 45' ' ' TYR . 70.6 t -83.96 143.58 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.668 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 2.1 tttt -134.5 161.98 33.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.13 126.35 35.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.4 mm -121.12 -70.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -90.1 133.71 34.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -53.56 148.39 18.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.576 1.83 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.92 6.02 23.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.62 176.84 8.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 0.733 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 74' ' ' VAL . 1.3 p -97.18 114.03 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -74.62 111.6 9.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.47 149.34 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.168 . . . . 0.0 110.329 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 111.39 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.7 51.13 2.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.24 -171.98 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -106.23 146.87 12.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.1 t -123.64 -64.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.668 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -142.39 -176.82 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.86 143.59 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.0 OUTLIER -100.68 133.78 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.512 ' N ' HD13 ' A' ' 84' ' ' LEU . 14.2 tt0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -174.84 102.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.756 . . . . 0.0 109.971 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 p -70.19 -58.69 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.51 150.0 7.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.58 1.175 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -172.56 157.97 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.984 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -164.6 163.59 21.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.48 -176.67 40.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.4 p -100.0 159.96 14.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -123.07 85.84 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 108.306 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 63.5 t -112.09 143.06 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.51 142.42 40.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.45 122.04 13.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -89.63 94.92 10.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -171.71 89.99 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.7 99.77 2.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.878 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -67.21 155.62 90.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -7.15 18.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -114.86 37.03 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.878 HG12 ' O ' ' A' ' 16' ' ' ASP . 9.5 p -137.44 143.72 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.667 HD21 HD12 ' A' ' 84' ' ' LEU . 9.0 mt -116.98 87.6 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -81.97 164.47 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.3 t -84.0 120.64 75.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.06 150.23 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.78 172.93 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.28 -134.5 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.96 109.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.553 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 tp -55.53 137.68 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 p -118.06 -66.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -161.77 -176.79 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -114.67 166.53 11.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -113.96 6.29 16.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.3 m -137.41 153.75 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.93 178.34 7.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.02 138.42 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.64 37.24 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.568 1.167 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -64.15 136.09 40.18 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.504 ' CE1' ' OD2' ' A' ' 87' ' ' ASP . 1.9 t60 -96.96 136.12 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -142.05 -176.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -103.26 156.37 17.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -63.51 98.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.58 -26.91 3.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.151 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.24 160.45 18.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 0.742 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -92.85 132.93 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.937 ' CD1' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -115.15 -17.12 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.582 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.4 178.4 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.0 -178.9 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -163.82 165.72 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 111.019 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 20.3 tt0 -123.6 117.19 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.42 144.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 50.08 37.5 14.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mttt 63.49 27.76 15.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.7 mtt -132.83 138.76 47.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 25.2 mm -92.78 118.81 39.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.7 ttm -115.86 140.88 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.45 150.91 29.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.6 119.3 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -108.71 163.02 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.664 ' HB ' HD11 ' A' ' 84' ' ' LEU . 27.5 m -89.64 139.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -71.61 -26.16 62.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 21.9 mt-10 -153.55 125.44 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.784 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 10.1 ptt-85 -35.9 153.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.453 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 162.27 -142.15 7.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 56.7 mtt180 -128.05 118.09 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.766 . . . . 0.0 110.222 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.937 HG11 ' CD1' ' A' ' 45' ' ' TYR . 57.5 t -85.57 141.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.677 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -143.85 138.36 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.75 126.32 32.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 83' ' ' ARG . 1.4 mt -112.46 -48.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.83 134.77 34.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.55 148.76 17.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.34 5.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.66 26.82 3.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.99 176.49 6.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -95.4 111.71 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -80.19 125.6 30.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.43 158.53 38.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.62 136.48 58.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.87 61.24 7.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -131.81 174.01 10.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.57 141.96 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.31 -58.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -153.05 159.38 42.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' HD3' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -108.12 154.06 22.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.414 1.071 . . . . 0.0 110.349 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.667 HD12 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -109.09 143.64 38.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.7 103.59 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.39 124.1 16.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' OD2' ' CE1' ' A' ' 38' ' ' HIS . 19.3 p30 -93.08 -8.59 42.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -141.74 67.3 23.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.47 14.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.67 135.65 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -169.55 81.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 92' ' ' VAL . 7.7 p -66.62 115.26 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.35 153.63 74.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.646 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 77.23 3.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.564 1.823 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.38 122.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.23 -165.39 38.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.26 39.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.439 1.757 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -140.65 151.15 44.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.37 148.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.962 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 p -118.34 163.29 16.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.45 147.01 49.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.18 -153.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 p -164.41 135.39 4.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.2 136.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.54 133.8 12.04 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.9 t -102.21 127.45 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.7 m 44.12 80.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 108.356 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.71 150.58 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.382 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 64.22 94.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.93 163.15 38.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.33 80.34 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.38 86.94 2.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -158.73 84.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' HG12 ' A' ' 19' ' ' VAL . 51.2 m-20 -92.13 147.08 33.98 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.5 18.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -108.28 50.54 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 16' ' ' ASP . 1.7 p -134.98 135.93 52.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.756 HD11 ' HG ' ' A' ' 84' ' ' LEU . 7.2 mt -103.56 86.16 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 6.1 mtt85 -85.4 153.86 22.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.585 ' HB2' HD11 ' A' ' 75' ' ' LEU . 36.4 t -84.21 136.77 40.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 109.936 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -17.24 19.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.63 153.49 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.39 172.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.99 -137.38 4.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -157.34 113.56 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 71' ' ' PRO . 19.8 tp -59.2 153.01 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.7 p -127.78 -62.23 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -168.52 176.92 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -107.03 138.48 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' ' 46' ' ' ALA . 41.9 p -84.72 -11.3 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.599 1.187 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.5 m -118.19 165.07 13.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.36 179.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -49.85 119.92 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.46 61.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.4 1.063 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -59.83 130.52 49.74 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.59 ' CE1' ' OD2' ' A' ' 87' ' ' ASP . 2.4 t-160 -107.01 112.96 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 109.593 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -120.11 -179.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -112.23 155.37 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.804 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.31 93.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.87 -19.1 3.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -78.59 -174.17 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 p -120.77 134.96 55.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.828 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.6 p90 -118.09 -11.42 10.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HA ' HG23 ' A' ' 32' ' ' THR . . . -165.37 -174.7 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -141.96 178.6 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.5 156.95 26.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 24.4 tt0 -119.36 112.25 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.0 141.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 57.41 35.73 26.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 19.51 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.7 mtt -125.11 142.31 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 16.0 mm -92.81 125.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ttt -124.77 140.82 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.25 149.45 35.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.103 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.72 122.99 49.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 43' ' ' SER . 1.3 p-10 -115.45 166.86 11.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.668 ' HB ' HD11 ' A' ' 84' ' ' LEU . 27.7 m -94.63 143.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' C ' ' CG ' ' A' ' 61' ' ' GLU . 1.6 mt-30 -77.96 -23.63 48.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 15.8 mt-10 -153.16 123.14 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.804 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -36.18 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.6 -139.55 5.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 1.7 mtt85 -135.56 120.14 18.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.828 HG11 ' CD1' ' A' ' 45' ' ' TYR . 58.1 t -83.97 144.4 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.567 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -137.27 162.05 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.31 128.59 34.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.418 HG22 ' HG2' ' A' ' 69' ' ' LYS . 3.1 mm -126.36 -69.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' HG22 ' A' ' 68' ' ' ILE . 4.1 mmmt -91.7 131.91 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.11 148.26 41.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.659 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 129.1 12.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.423 1.749 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.44 1.58 23.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.89 176.64 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.58 105.75 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.44 131.47 45.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.78 152.4 43.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 120.32 11.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 55.41 5.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.5 m -129.27 172.31 11.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.42 140.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.7 t -119.97 -54.6 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -152.77 -176.72 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.83 148.26 35.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.756 ' HG ' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -124.03 114.56 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.18 105.09 17.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -43.99 111.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.59 ' OD2' ' CE1' ' A' ' 38' ' ' HIS . 28.7 p30 -87.44 -6.85 58.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -138.46 69.78 46.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.231 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.7 20.04 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.24 127.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -164.21 92.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.66 97.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -49.0 118.25 7.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.577 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -66.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.774 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.55 149.13 22.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.952 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.91 -177.77 43.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.7 39.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 p -154.75 135.77 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.2 p -179.63 145.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.565 1.166 . . . . 0.0 110.959 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.3 p -110.74 158.49 18.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 0.75 . . . . 0.0 110.042 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -142.64 147.81 36.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.84 -134.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -136.76 90.66 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m -162.2 128.07 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 146.92 18.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.8 p -108.71 67.58 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.405 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.61 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.9 t 63.96 103.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.24 130.88 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -166.41 115.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.356 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.17 167.78 17.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -140.51 160.45 39.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.132 . . . . 0.0 110.245 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.39 99.68 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.34 87.15 0.43 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.41 3.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 p -111.28 -6.39 14.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 p -129.29 121.07 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -86.97 90.05 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -81.63 165.86 20.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.465 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 2.4 t -84.04 114.17 52.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.95 18.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.36 154.75 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.051 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 171.54 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.454 ' CA ' ' HB ' ' A' ' 50' ' ' VAL . . . 160.44 -140.45 6.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -158.12 121.83 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 75' ' ' LEU . 15.5 tp -64.91 153.52 40.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.5 p -130.22 -69.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -166.06 170.05 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -100.62 164.6 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.2 p -120.51 4.59 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -120.72 158.19 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.63 173.17 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.62 130.0 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.58 37.05 32.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 129.44 43.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -94.42 127.69 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.652 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.74 175.55 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.22 155.94 19.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.631 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -65.8 94.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -13.03 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.7 m -82.81 -174.0 5.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HG22 ' A' ' 56' ' ' THR . 82.8 p -124.94 133.39 53.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.775 ' CB ' HG21 ' A' ' 65' ' ' VAL . 4.5 p90 -116.17 -10.79 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.39 176.57 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.67 177.96 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -157.27 163.54 38.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 35.2 tt0 -123.78 106.65 10.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' HB ' ' CA ' ' A' ' 26' ' ' GLY . 3.2 p -129.13 140.31 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.56 35.49 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp 64.33 20.35 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.1 mtt -124.14 140.48 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 32.3 mm -91.89 115.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.606 1.191 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.8 ttt -116.3 140.93 48.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.8 OUTLIER -83.07 146.05 28.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.454 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.81 124.83 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 43' ' ' SER . 3.6 p30 -116.91 168.82 9.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.583 HG23 ' HA ' ' A' ' 41' ' ' ALA . 17.2 m -98.01 143.44 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -80.58 -23.85 39.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ARG . 63.4 mm-40 -149.29 133.17 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.631 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -35.98 150.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.33 161.34 10.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 140.6 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.775 HG21 ' CB ' ' A' ' 45' ' ' TYR . 98.9 t -88.28 143.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.635 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -126.54 159.86 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.507 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.9 t80 -89.74 118.55 29.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.507 HD13 ' O ' ' A' ' 67' ' ' TYR . 22.4 mm -117.62 -72.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -89.59 133.93 34.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.097 . . . . 0.0 109.26 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.49 154.68 63.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 128.03 11.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.08 13.31 11.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.67 172.55 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.85 122.76 45.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -83.62 125.26 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.93 153.86 46.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.234 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.54 130.01 43.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.7 54.57 24.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 m -129.86 172.64 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.48 148.53 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.69 -51.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -155.45 -178.76 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 167.87 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.7 tm? -131.3 129.39 41.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.8 93.09 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.79 116.37 1.93 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -86.01 -8.12 58.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -141.43 69.49 26.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.04 14.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.7 t -178.02 145.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -136.69 -139.59 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.4 p -139.63 142.13 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -119.32 150.79 50.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 114.46 4.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.38 149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.936 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.99 -170.13 43.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 144.66 30.86 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.575 1.829 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 t -108.66 108.9 19.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.8 m 59.87 108.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.31 -59.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.949 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.46 149.42 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.81 -88.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -127.4 83.09 2.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.454 0.738 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.84 133.84 53.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.072 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.61 78.23 0.31 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.399 1.062 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 p -82.93 141.26 32.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.6 p -64.81 128.57 36.31 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.576 1.173 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.5 t -123.04 150.66 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -173.13 140.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.36 161.97 10.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 58.93 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -142.76 160.82 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -124.29 167.91 13.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -112.55 120.52 40.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.33 3.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.797 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' LEU . 26.5 p -113.93 -52.83 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.43 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.1 p -83.94 109.61 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.27 88.1 2.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -76.94 149.76 35.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -71.69 116.21 45.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.52 20.12 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.565 1.824 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' HE3' ' A' ' 48' ' ' MET . 16.5 m -163.38 153.21 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -179.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 154.7 -133.56 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -164.82 114.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.88 159.15 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.9 p -139.16 -62.2 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.472 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -167.46 -176.47 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -114.71 178.22 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -124.97 7.28 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.35 156.43 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -179.94 6.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.98 131.45 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.11 45.45 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 134.32 33.67 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -107.57 132.77 52.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.34 -175.96 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.82 155.8 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -63.8 93.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.07 -24.25 1.91 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -74.48 -176.02 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.396 0.704 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.5 p -118.94 130.23 55.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.702 ' CB ' HG21 ' A' ' 65' ' ' VAL . 5.8 p90 -111.41 -20.08 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -161.03 179.63 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -140.62 178.91 7.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.425 ' HE3' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -161.76 162.69 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 21.1 tt0 -120.94 118.93 31.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.226 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' MET . 3.1 p -135.2 138.36 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 49.4 43.19 23.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mttp 62.26 22.24 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -123.65 135.14 53.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mm -91.58 117.44 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.4 ttp -114.56 140.44 48.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.35 144.58 26.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.93 114.6 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -102.47 163.61 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.605 HG23 ' HA ' ' A' ' 41' ' ' ALA . 11.5 m -92.75 130.77 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -66.27 -33.04 74.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 62' ' ' ARG . 59.1 mm-40 -147.29 127.11 13.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.447 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.36 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 161.06 -145.96 11.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -120.61 124.65 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.702 HG21 ' CB ' ' A' ' 45' ' ' TYR . 99.5 t -86.15 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.677 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -141.78 143.68 33.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.96 121.99 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 111.026 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 68' ' ' ILE . 17.6 mm -101.16 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -90.19 130.5 36.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -48.1 158.44 0.56 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.33 9.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.425 1.75 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.63 35.36 3.82 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.22 173.41 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.387 0.698 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 74' ' ' VAL . 12.0 p -95.64 102.44 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.23 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -69.9 128.08 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.87 153.2 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.0 133.68 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.197 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.86 59.73 9.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.6 m -135.42 176.07 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.72 135.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -122.17 -58.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -156.55 165.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.4 166.96 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.208 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.528 HD11 ' HA3' ' A' ' 63' ' ' GLY . 3.5 tm? -124.05 128.58 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.54 94.52 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.4 114.81 1.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -8.25 56.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -147.64 90.06 5.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -21.37 15.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -116.08 80.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.64 -140.37 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.5 t 61.75 144.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 41.12 89.36 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.651 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 130.17 13.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 t -48.54 133.36 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.9 -147.27 5.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.19 33.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t 74.43 163.28 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -117.3 -60.96 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.33 144.45 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.486 0.756 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.32 168.72 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.35 -159.82 35.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -178.55 156.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 0.734 . . . . 0.0 109.89 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -44.76 163.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.31 -171.16 29.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -172.49 142.32 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.792 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.74 96.43 8.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 108.347 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 m -139.66 -174.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -90.22 102.4 15.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -170.95 127.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -178.77 138.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 4.8 mm-40 -140.27 124.59 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.244 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 14' ' ' GLU . 23.9 m-80 -161.22 143.3 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' CB ' HG12 ' A' ' 19' ' ' VAL . 2.9 m-20 -139.53 146.1 46.59 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.99 2.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.5 p -60.72 -27.68 68.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.2 p -108.25 110.18 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD11 ' HG ' ' A' ' 84' ' ' LEU . 4.0 mt -77.06 89.03 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -82.21 156.79 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.443 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 22.4 t -79.87 119.65 77.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -16.88 19.87 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.0 148.75 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.941 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.71 175.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.54 -139.88 6.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.916 ' HE2' HG23 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -159.32 121.89 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.79 . . . . 0.0 109.359 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.96 144.6 55.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.7 p -123.3 -58.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -170.86 -177.56 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -119.11 173.54 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.1 p -121.84 12.16 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.7 148.06 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.81 178.59 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.73 131.77 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.29 39.48 5.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.32 138.88 45.54 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -102.73 138.24 39.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.68 -175.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -114.16 155.9 25.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.599 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -66.28 98.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.75 -6.57 5.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.6 1.188 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -90.07 -173.69 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 56' ' ' THR . 40.1 p -120.1 135.64 54.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.889 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.4 p90 -112.47 -13.77 13.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -167.46 -178.46 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -139.11 179.47 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.9 162.19 31.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -120.2 116.32 25.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.23 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -136.03 138.18 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.87 39.96 23.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt 58.2 28.76 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtm -131.78 151.69 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.77 130.13 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 17.0 ttt -134.14 141.09 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 44' ' ' SER . 1.2 m -76.42 148.42 37.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -111.55 112.5 24.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -92.87 174.67 7.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.542 HG13 ' HD2' ' A' ' 45' ' ' TYR . 2.6 m -102.39 151.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -71.62 -6.62 42.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 0.5 OUTLIER 163.93 155.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.261 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.599 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.11 151.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.475 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 145.94 160.79 8.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.24 130.59 34.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' A' ' 45' ' ' TYR . 93.5 t -84.2 150.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.608 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -134.13 162.01 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -90.98 122.52 33.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mm -119.59 -70.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -88.61 135.11 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -59.87 148.1 77.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 117.83 5.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.54 1.49 8.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.94 175.42 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.277 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.916 HG23 ' HE2' ' A' ' 27' ' ' LYS . 1.8 p -93.73 116.01 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.23 155.08 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 122.3 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.67 54.54 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 m -129.21 171.5 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -99.61 138.93 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.59 -54.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -152.58 -178.61 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -109.18 157.89 18.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.253 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.491 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -124.98 115.98 21.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 0.0 109.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -100.13 93.9 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.1 mt -42.09 118.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -90.99 17.66 7.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -178.07 86.36 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.35 15.0 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.43 -63.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.68 124.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.8 t -146.91 140.44 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.64 154.49 37.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 72.81 4.58 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.44 -69.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.75 163.35 10.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.79 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -141.19 34.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.615 1.197 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.6 p -58.54 -18.01 26.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.045 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p 179.46 149.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.042 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.96 159.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.07 138.02 2.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -163.92 147.19 9.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 0.774 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -177.65 -61.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.052 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.61 131.58 2.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -129.55 175.61 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.602 0.825 . . . . 0.0 110.359 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.5 m -136.47 140.34 43.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 10' ' ' VAL . 35.1 m -146.56 68.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 51.97 174.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -108.85 121.4 45.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.0 87.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -166.78 96.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.236 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -136.01 144.57 45.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.16 99.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.42 3.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.2 p -113.11 -39.67 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 p -94.32 118.44 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.377 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.623 HD11 ' HG ' ' A' ' 84' ' ' LEU . 1.9 mt -74.66 97.91 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -92.14 151.1 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 75' ' ' LEU . 39.0 t -76.52 126.93 85.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.94 19.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.72 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 165.93 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.48 -142.26 7.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' A' ' 74' ' ' VAL . 1.5 mttp -156.13 110.79 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 tp -52.91 159.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -138.39 -62.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.78 -178.18 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -116.78 163.51 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 p -112.15 7.18 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.1 m -127.32 155.01 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.12 178.97 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 125.9 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.52 37.48 49.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -61.83 131.49 46.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -94.25 126.0 39.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 109.641 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.73 -175.7 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -117.38 156.42 27.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.37 101.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.87 -9.68 6.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.569 1.168 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -85.8 -173.66 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 p -119.81 136.89 54.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.731 ' CB ' HG21 ' A' ' 65' ' ' VAL . 1.4 p90 -115.85 -14.28 11.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -171.95 -174.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.376 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.45 178.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.28 160.11 38.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -117.53 114.69 23.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 144.59 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 52.19 44.77 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.14 34.07 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -138.55 147.47 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 132.88 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.414 ' HG2' ' N ' ' A' ' 56' ' ' THR . 1.9 ttm -136.54 140.07 42.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.414 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.8 OUTLIER -77.75 151.0 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 110.406 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -112.22 131.92 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.39 169.43 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -95.1 144.51 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.8 tm0? -70.98 -17.65 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.5 mt-10 -175.42 149.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.465 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -36.04 148.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.477 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 149.46 160.01 8.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 15.7 mtp180 -85.36 134.29 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 0.717 . . . . 0.0 110.299 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.731 HG21 ' CB ' ' A' ' 45' ' ' TYR . 93.7 t -90.65 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -127.67 162.1 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.75 124.26 36.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.28 -60.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -89.0 124.63 34.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.77 148.65 3.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 119.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.03 23.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.35 176.66 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.1 p -91.13 114.26 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.466 HD12 ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -84.9 119.51 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.4 152.12 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 116.73 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.25 54.3 3.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.73 173.24 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.29 145.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.29 -66.24 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -136.19 -175.64 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.406 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.7 tpp180 -113.59 146.24 40.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.06 111.18 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.04 97.54 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.1 mt -57.89 109.12 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.62 -9.15 58.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -149.69 97.26 3.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -19.59 17.61 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.8 t -176.66 140.59 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.083 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 75.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.6 p -82.51 138.18 19.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.9 105.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.627 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.45 14.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.87 91.9 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.09 155.95 27.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 158.11 42.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.446 1.761 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.0 p -115.41 164.05 14.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.4 p -162.02 143.74 11.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.414 1.071 . . . . 0.0 111.02 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -178.14 138.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.034 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -155.33 154.81 32.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.065 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.68 97.82 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.14 85.48 2.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.65 124.18 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.0 111.61 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.8 p -47.12 107.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.392 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.66 78.46 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.9 m -121.91 62.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' GLU . 3.6 t80 62.82 95.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' PHE . 7.6 mt-10 38.78 90.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HG3' HG23 ' A' ' 10' ' ' VAL . 3.4 mmtt -144.3 90.14 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' OE2' ' NH2' ' A' ' 21' ' ' ARG . 2.8 mt-10 -135.14 122.16 21.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.184 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -138.64 132.21 30.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.374 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.07 84.62 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -2.48 12.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -105.82 43.96 1.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.423 1.077 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 19' ' ' VAL . 4.1 p -130.65 120.89 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.777 HD11 ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -87.39 91.02 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 3.8 mtt85 -87.51 150.94 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 27.2 t -78.6 138.87 58.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.61 11.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 m -164.02 153.86 14.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.38 170.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.75 -137.99 5.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -157.79 115.1 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB2' HD23 ' A' ' 75' ' ' LEU . 17.9 tp -64.35 158.13 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.7 p -138.45 -57.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -178.46 173.65 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.0 p90 -102.81 166.65 10.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 p -113.28 8.53 18.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.5 m -124.66 157.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -179.93 7.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.8 125.14 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.03 35.89 65.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.02 131.02 44.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -102.1 108.88 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 109.567 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -112.51 -175.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -110.22 156.16 21.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.868 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -65.46 93.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.31 -15.03 3.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -80.58 -174.31 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 56.7 p -119.28 136.44 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.858 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.6 p90 -115.04 -15.63 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -163.95 -173.01 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -142.64 179.52 6.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -157.24 157.47 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 22.1 tt0 -119.77 113.48 20.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.36 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.48 143.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.1 mmm 53.42 35.67 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.09 26.27 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -129.19 136.85 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 21.0 mm -90.68 121.58 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 63.8 mtt -122.72 139.89 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -76.86 146.48 37.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' SER . 3.7 mt -105.94 139.77 39.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 168.65 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 m -92.4 143.91 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.437 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.9 mt-30 -63.22 -19.54 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.91 ' OE2' HD22 ' A' ' 86' ' ' LEU . 10.5 tt0 173.11 149.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.868 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.49 139.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.27 -142.65 7.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -132.4 125.08 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.858 HG21 ' CB ' ' A' ' 45' ' ' TYR . 83.5 t -85.18 138.9 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.707 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -129.53 161.95 29.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -92.91 115.83 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 67' ' ' TYR . 16.4 mm -112.63 -71.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -81.51 121.33 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.01 148.04 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.603 1.19 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.499 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 117.47 4.92 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.08 5.36 9.7 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 176.24 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.5 p -93.21 116.14 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.661 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -77.25 128.38 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -125.95 148.76 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.89 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.61 47.9 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.7 m -125.33 172.64 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.0 p -88.07 145.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.05 -62.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -146.89 -173.84 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.67 151.61 28.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.777 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -125.07 120.04 30.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.69 91.88 5.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.91 HD22 ' OE2' ' A' ' 61' ' ' GLU . 92.4 mt -65.17 115.43 5.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -72.84 -6.94 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -151.8 93.73 3.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.36 22.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.1 t 47.36 89.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.66 84.79 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.3 t -105.5 -50.04 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 93' ' ' HIS . 5.4 t-80 39.95 72.41 1.01 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.63 12.44 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.503 1.791 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.57 162.67 13.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.45 166.11 35.21 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 120.84 6.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.3 p -87.22 157.15 19.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.2 117.29 34.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -150.02 154.39 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.8 144.43 16.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.6 1.187 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.49 -176.88 38.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.17 160.5 15.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 0.746 . . . . 0.0 110.067 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -173.13 108.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.7 52.72 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 p -114.46 138.8 50.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.9 t -54.08 -62.14 1.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 108.22 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t 50.28 68.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 3.9 p90 -48.75 130.85 18.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.37 172.49 4.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 122.79 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' OE1' ' CD2' ' A' ' 93' ' ' HIS . 3.2 mt-10 -143.81 167.24 22.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -80.76 137.81 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.97 92.08 0.45 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.32 3.62 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.589 1.837 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 p -112.15 -7.56 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.06 118.64 54.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.646 ' HG ' HD12 ' A' ' 84' ' ' LEU . 1.3 mt -75.85 90.95 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -77.69 159.36 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.5 t -86.93 115.71 63.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -12.94 21.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.461 1.769 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' HE1' ' A' ' 48' ' ' MET . 0.1 OUTLIER -164.68 154.43 13.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 150.08 47.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.44 -148.57 6.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.13 107.32 4.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.791 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' HD23 ' A' ' 75' ' ' LEU . 14.3 tp -56.11 135.28 53.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -115.01 -65.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -164.45 -175.86 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -115.02 179.04 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 p -128.55 6.16 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.5 m -125.52 158.39 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.43 179.36 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.22 125.29 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.52 62.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.69 131.48 52.07 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CD2' ' OD2' ' A' ' 87' ' ' ASP . 7.2 t-80 -102.11 127.54 48.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' HG11 ' A' ' 59' ' ' VAL . 28.0 m -133.4 -177.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -111.23 155.11 23.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -57.95 106.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.29 -32.22 3.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -62.09 167.59 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 p -106.91 131.58 53.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.651 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.7 p90 -114.57 -21.87 10.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.651 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -159.19 -178.55 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -138.64 -178.95 5.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.444 ' HE1' ' O ' ' A' ' 24' ' ' SER . 14.7 ptm -159.94 152.15 20.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -111.53 113.71 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.36 146.17 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 mmt 54.63 30.45 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.15 11.66 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.5 mtt -117.0 153.94 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.4 mm -97.45 132.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.8 mtt -130.28 139.51 50.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.21 145.45 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -111.67 123.18 49.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' SER . 91.6 m-20 -107.99 168.24 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.536 ' HB ' HD11 ' A' ' 84' ' ' LEU . 16.8 m -92.42 130.89 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.2 mm-40 -59.6 -32.21 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 41.2 mt-10 -157.06 133.2 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 6.2 ptm180 -36.29 151.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.15 -138.78 5.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' H ' HD23 ' A' ' 84' ' ' LEU . 8.3 mtt180 -136.65 120.39 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.804 . . . . 0.0 110.283 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 45' ' ' TYR . 59.4 t -83.65 146.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.605 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -138.57 162.09 35.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.506 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -86.52 115.64 24.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 67' ' ' TYR . 14.8 mm -112.88 -68.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 131.69 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.0 146.31 15.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 117.95 5.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 2.73 10.98 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.39 176.37 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.7 116.35 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -80.44 136.05 36.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.171 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -133.54 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.66 131.39 49.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.67 59.66 7.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.08 173.21 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -96.45 145.0 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.5 -66.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -137.29 -179.4 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 143.95 39.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.646 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -126.3 109.52 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 93.42 9.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 mt -44.04 117.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.509 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 6.3 p30 -91.0 -9.04 47.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -136.48 74.58 53.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 176.43 9.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.34 -63.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -80.94 78.09 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.2 t -107.79 84.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.388 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.478 ' CD2' ' OE1' ' A' ' 14' ' ' GLU . 10.4 m170 64.28 152.52 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.58 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.4 Cg_endo -74.95 156.09 43.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER 164.66 127.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -146.16 157.69 27.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 166.78 28.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -104.82 132.4 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.6 m -56.56 111.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.07 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -159.11 164.08 35.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 109.953 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m 66.1 148.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.1 85.2 1.71 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.71 161.3 20.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.725 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.71 94.43 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.64 -107.21 3.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.602 1.189 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -163.62 130.06 3.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.781 . . . . 0.0 110.425 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.44 124.34 27.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.067 . . . . 0.0 108.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 65.9 t -88.63 89.61 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 51.88 94.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -169.59 152.77 4.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -87.65 149.31 24.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.91 147.35 26.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -156.45 150.93 25.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' HB3' HG12 ' A' ' 19' ' ' VAL . 0.7 OUTLIER 178.96 125.75 0.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.227 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -27.26 10.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.551 1.816 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' LEU . 33.7 p -58.79 -47.48 84.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 19' ' ' VAL . 11.1 p -86.8 101.24 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -74.1 86.41 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 159.04 31.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 25.8 t -79.41 116.22 58.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.937 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.6 20.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 152.68 22.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 167.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.6 -152.15 21.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -146.33 110.4 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -54.73 149.95 10.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -128.29 -72.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -158.29 -174.32 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.83 168.15 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.478 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 67.7 p -121.29 6.67 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 45' ' ' TYR . 4.6 m -125.81 163.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.8 179.68 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.86 124.4 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.85 75.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -54.93 126.73 39.25 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 63' ' ' GLY . 8.7 t-160 -103.29 120.39 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -132.45 176.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -103.13 155.83 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -56.42 108.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.57 -31.52 3.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -65.37 163.87 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 0.721 . . . . 0.0 109.977 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.451 ' HB3' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -107.72 130.62 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.989 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' HG11 ' A' ' 65' ' ' VAL . 29.2 p90 -114.11 -11.71 12.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -162.15 178.17 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' OE2' ' CG2' ' A' ' 32' ' ' THR . 2.9 mt-10 -135.53 179.74 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.92 150.02 13.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -109.74 112.95 25.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.51 148.12 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.8 mmm 50.6 41.08 25.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 60.23 18.34 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtt -122.39 152.41 40.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mm -101.67 104.27 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.7 mtt -102.9 140.15 37.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -85.74 150.47 24.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 mt -112.32 129.88 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' SER . 3.1 p30 -118.52 166.55 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 41' ' ' ALA . 33.1 m -90.7 131.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 61' ' ' GLU . 50.4 mm-40 -63.16 -32.65 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' ARG . 9.1 mm-40 -147.88 131.74 17.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.466 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -36.59 150.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.522 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . 163.46 -147.42 13.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 7.6 mtt-85 -127.22 125.47 41.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.397 0.704 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.818 HG11 ' CD1' ' A' ' 45' ' ' TYR . 97.5 t -83.97 136.64 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -130.67 160.91 32.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.61 116.24 23.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 80' ' ' VAL . 21.1 mm -110.6 -65.75 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.611 ' CG ' HG13 ' A' ' 80' ' ' VAL . 5.9 mmpt? -93.65 146.98 23.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 148.39 98.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 120.49 6.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.98 -4.84 10.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.42 1.075 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.41 165.1 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.01 104.18 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -63.06 121.02 12.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -121.17 150.64 40.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.16 122.34 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.66 56.62 4.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.83 173.44 11.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.611 HG13 ' CG ' ' A' ' 69' ' ' LYS . 13.6 p -93.14 144.19 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.27 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -148.06 -179.19 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.0 166.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' THR . 3.0 tm? -140.46 105.65 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -87.94 92.68 9.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.6 mt -48.3 132.19 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.46 -0.35 32.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -146.16 74.44 13.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.77 5.77 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.556 1.819 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.1 t -135.0 -69.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 64.55 79.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.7 t -146.89 128.72 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -45.12 103.82 0.36 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.652 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.56 41.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.57 89.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.914 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.5 -163.46 24.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.28 39.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.7 t -128.57 111.46 13.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.4 p -89.51 131.86 35.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.938 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m 58.84 163.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 110.054 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.61 -58.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.42 -176.98 2.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -179.03 113.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -125.22 131.7 53.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.85 -168.48 22.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -170.4 162.8 8.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 0.728 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.04 152.63 30.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 108.269 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.19 122.4 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -48.32 112.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.51 163.55 27.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt 65.32 127.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -130.58 171.1 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 27.7 t30 77.41 -65.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.723 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER 50.25 93.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -1.14 10.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.3 p -108.02 32.63 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.44 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 16' ' ' ASP . 8.1 p -117.05 120.2 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD22 ' HE2' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -85.19 89.23 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -79.46 161.88 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.688 ' HB2' HD13 ' A' ' 75' ' ' LEU . 3.9 t -79.56 115.21 51.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -10.17 21.17 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.447 1.762 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.6 m -167.83 153.25 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 175.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 49' ' ' GLU . . . 152.43 -137.12 5.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 75' ' ' LEU . 1.5 mttt -170.38 123.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.48 158.1 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -139.11 -59.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -162.74 -177.77 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.8 167.32 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -114.73 5.59 15.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.8 m -134.9 160.84 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -179.74 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 130.05 11.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.76 53.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.49 133.5 47.79 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -104.8 126.24 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG2' HG11 ' A' ' 59' ' ' VAL . 18.8 m -133.1 177.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.55 156.1 17.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.853 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -62.77 92.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.72 -21.76 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -67.64 -173.84 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.746 . . . . 0.0 110.038 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -118.21 132.18 56.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.888 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.4 p90 -118.76 -9.47 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -172.13 -177.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.39 172.49 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.86 160.1 43.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 47.7 tt0 -117.26 122.18 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 p -143.01 142.09 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 50.84 43.63 28.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt 59.49 19.77 8.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.1 mtm -124.32 146.16 48.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.4 mm -97.63 129.47 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.92 140.3 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.4 149.04 30.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -115.16 105.27 12.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.7 p30 -94.7 166.91 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 39' ' ' VAL . 4.5 m -88.94 139.75 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -26.78 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' ARG . 26.3 mt-10 -154.43 126.78 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.853 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 5.6 ptm180 -36.85 151.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.625 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 155.26 -139.96 7.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -122.97 129.03 51.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.888 HG11 ' CD1' ' A' ' 45' ' ' TYR . 96.6 t -90.51 139.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.673 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -134.67 144.17 47.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.37 115.84 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.846 HG22 ' HE2' ' A' ' 69' ' ' LYS . 17.6 mm -96.76 -60.65 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.846 ' HE2' HG22 ' A' ' 68' ' ' ILE . 7.0 mmpt? -88.38 145.48 25.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.31 157.72 69.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.2 -5.79 6.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.112 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.68 164.74 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 0.734 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -89.38 136.34 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.3 OUTLIER -101.34 117.12 34.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -123.01 154.23 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.36 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.28 128.28 35.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.69 58.45 6.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.3 m -136.84 173.81 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 p -95.99 147.46 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.18 -55.88 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -159.09 167.8 28.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 163.32 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -114.67 143.7 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.717 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.4 tt0 -121.08 95.7 4.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.2 mt -50.54 126.74 16.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -92.09 -5.88 51.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.345 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -146.02 90.28 5.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -170.77 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 t -75.24 -63.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -125.18 -140.74 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 t 54.83 88.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.59 154.61 76.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.647 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 80.72 2.36 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.808 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.1 p -114.9 151.52 33.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.87 -127.86 6.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 159.22 41.45 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.386 1.73 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.94 156.06 4.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.085 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.93 161.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 111.011 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.44 155.85 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 110.027 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p -110.74 141.31 44.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.071 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.77 -159.78 8.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.48 164.67 17.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.25 98.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.51 -122.61 7.31 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.12 165.13 12.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 110.441 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.36 75.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.344 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.5 p -117.44 92.07 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -92.76 148.11 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 51.31 82.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.26 141.08 35.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.96 153.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 46.66 89.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -152.21 93.94 3.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 54.28 3.57 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.57 1.826 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.0 p -114.6 -15.53 11.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.464 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.6 p -114.75 113.42 43.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD11 ' HG ' ' A' ' 84' ' ' LEU . 3.1 mt -74.71 87.93 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -78.09 147.23 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.437 ' OG ' HD12 ' A' ' 75' ' ' LEU . 13.6 t -74.32 134.56 76.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -74.99 -21.76 15.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 165.28 4.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 172.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.11 -131.37 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLU . 64.8 tttt -162.41 115.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 15.7 tp -64.1 158.06 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.1 p -132.76 -64.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -171.77 167.43 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -93.5 159.08 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 p -104.88 -3.23 23.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.3 m -117.44 158.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -179.98 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.3 117.58 3.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.87 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -57.91 142.57 43.86 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -114.21 116.92 29.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -119.42 168.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.11 157.75 16.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.17 100.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.31 -13.56 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.3 m -85.41 -174.73 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.052 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 p -121.47 134.94 55.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 2.0 p90 -116.22 -15.1 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -166.21 -178.81 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CD ' HG23 ' A' ' 56' ' ' THR . 6.2 mt-10 -139.0 -179.39 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.01 154.88 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' LYS . 35.8 tt0 -114.97 116.44 28.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.13 145.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.5 mmm 53.53 27.4 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.42 13.61 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.3 mtp -119.48 139.83 51.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mm -88.13 131.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.1 mtp -131.01 138.87 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -81.6 150.67 28.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mt -113.13 125.91 54.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 43' ' ' SER . 8.6 p30 -115.41 167.34 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.79 133.51 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.85 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' ARG . 23.0 mt-10 -148.0 131.67 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -36.02 152.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.507 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 163.29 172.87 31.31 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 71.5 mtt180 -92.81 119.99 32.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.391 0.701 . . . . 0.0 110.304 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 45' ' ' TYR . 84.2 t -84.15 139.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.606 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -132.89 162.07 32.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.9 121.59 28.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.32 -69.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.381 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -89.19 144.02 26.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.236 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.23 147.4 91.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.462 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.6 Cg_endo -74.97 123.48 7.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.39 6.15 27.58 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.83 174.21 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 0.729 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -93.3 102.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.14 148.92 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -142.41 151.05 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.7 130.26 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.28 57.86 13.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.76 173.05 12.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.54 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -121.3 -68.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -134.45 -175.25 3.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -109.86 143.77 39.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.544 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -122.63 111.57 16.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -100.85 101.45 12.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 110.336 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.8 mt -48.0 113.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.28 -2.6 57.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -141.69 76.69 20.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -5.18 16.44 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.4 t -115.47 108.04 15.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -147.63 111.3 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 91' ' ' LYS . 55.1 t -40.22 129.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -93.23 160.53 33.18 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.605 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 91.31 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.78 137.18 47.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.75 155.13 14.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.77 108.85 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.34 -34.22 15.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.391 1.057 . . . . 0.0 110.987 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -145.05 168.4 20.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -120.48 155.39 33.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.14 129.52 1.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 m -150.54 168.05 25.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -115.86 140.08 49.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.52 -161.34 14.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -136.68 139.47 42.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.461 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.14 115.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 108.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.6 m -138.81 149.69 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -123.62 173.73 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -146.86 97.89 2.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -94.13 109.32 21.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -179.62 119.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -145.59 133.89 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.622 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -163.13 104.95 1.0 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.12 9.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 p -96.7 46.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 16' ' ' ASP . 8.0 p -136.89 113.8 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD11 ' HG ' ' A' ' 84' ' ' LEU . 6.8 mt -84.61 87.55 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -80.02 159.61 26.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 t -90.31 131.9 37.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.43 10.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.493 1.786 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' HE1' ' A' ' 48' ' ' MET . 74.7 m -160.78 158.73 29.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 168.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.44 -138.12 4.81 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -162.33 106.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.7 tp -53.76 158.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.5 p -141.51 -53.36 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -175.22 166.54 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.32 136.37 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -73.24 -18.03 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 45' ' ' TYR . 6.2 m -105.23 164.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -101.46 179.76 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.68 123.68 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.69 26.87 74.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -51.28 137.26 29.7 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.409 ' CD2' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -111.26 108.4 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.561 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 33' ' ' VAL . 13.7 m -117.41 -177.14 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -118.15 155.76 29.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -61.25 100.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.2 -19.21 6.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 4.6 m -75.3 -176.09 2.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 p -119.01 131.46 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.979 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.729 ' CD1' HG11 ' A' ' 65' ' ' VAL . 2.3 p90 -117.0 -12.89 10.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -164.57 -175.5 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -144.97 177.72 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE1' ' O ' ' A' ' 24' ' ' SER . 13.0 ptm -155.03 161.02 41.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.5 tt0 -121.28 96.91 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -115.34 142.3 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 53.74 36.16 23.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.19 12.8 8.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.3 mmt -115.87 140.06 49.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 43.2 mm -89.06 127.29 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.5 ttm -126.78 140.97 51.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.02 147.85 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -112.91 117.68 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 43' ' ' SER . 7.2 p30 -106.96 166.86 10.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 m -90.44 139.83 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 3.8 mt-30 -68.49 -25.68 65.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 28.4 mt-10 -160.79 138.86 9.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.63 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.66 146.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.64 -164.41 35.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG3' ' CD2' ' A' ' 38' ' ' HIS . 18.8 mtm-85 -112.97 122.54 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 0.803 . . . . 0.0 110.24 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.729 HG11 ' CD1' ' A' ' 45' ' ' TYR . 83.5 t -85.35 131.29 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.547 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 ttpm? -122.63 162.07 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.555 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -85.19 122.47 29.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 67' ' ' TYR . 28.4 mm -118.43 -76.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.91 134.34 35.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -54.62 152.16 13.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.0 17.29 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.38 22.25 17.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.37 176.52 7.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 74' ' ' VAL . 7.2 p -94.38 104.64 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -71.83 140.06 49.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.236 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -138.15 155.67 48.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 137.28 57.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.51 58.19 15.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 p -97.28 139.67 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -121.17 -64.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -139.2 -176.69 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.07 153.41 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.65 ' HG ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -120.31 104.46 10.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -96.08 91.89 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.4 mt -49.77 135.84 18.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 5.9 p-10 -92.27 36.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.375 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.92 83.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 176.0 10.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -130.69 83.05 2.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 59.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.4 p -117.44 145.9 22.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.0 90.94 50.21 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.63 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.567 1.825 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.5 p -142.41 77.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.53 -139.75 1.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 66.02 6.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 m -61.43 141.81 57.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.051 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.8 p -173.18 152.87 2.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 p 178.72 151.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.012 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.71 151.76 1.92 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.21 158.71 21.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.02 143.2 51.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 110.055 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.29 108.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.1 105.2 0.46 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.588 1.18 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -154.33 -59.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m 64.25 109.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 108.227 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.464 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 34.5 m -56.26 146.41 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.18 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' CG ' ' O ' ' A' ' 10' ' ' VAL . 9.2 m-85 -171.76 111.18 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 111.033 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.03 136.9 54.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -161.45 73.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 58.54 -174.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -140.68 126.61 19.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.573 1.171 . . . . 0.0 109.398 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -56.49 148.1 46.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -8.02 19.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.8 p -99.75 28.21 4.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.659 HG23 ' HD3' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -130.82 143.26 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -114.5 101.01 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -95.16 162.32 13.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 31.0 t -84.88 125.19 71.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.13 17.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.0 153.01 19.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.78 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.73 9.27 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.79 114.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.612 0.831 . . . . 0.0 109.241 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.63 ' HB2' HD23 ' A' ' 75' ' ' LEU . 17.7 tp -63.74 138.9 58.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.1 p -113.46 -68.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -170.1 177.12 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -95.4 170.89 9.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -129.82 16.43 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.477 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m -131.32 155.38 41.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 177.13 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.31 128.63 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.61 39.03 65.08 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -62.01 127.89 41.42 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.8 t-80 -104.91 142.66 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 38' ' ' HIS . 2.8 m -155.5 -178.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.24 162.36 14.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . . . -67.95 93.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.32 -25.03 0.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 44' ' ' SER . 15.4 t -79.58 -176.59 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.72 ' HB2' HG22 ' A' ' 56' ' ' THR . 0.9 OUTLIER -118.14 133.06 56.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.89 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.3 p90 -115.25 -17.94 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.529 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.67 -176.26 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.88 172.72 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -149.81 160.66 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' OE1' HD11 ' A' ' 54' ' ' ILE . 40.0 tt0 -119.77 106.18 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.0 p -130.11 140.25 49.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.93 36.95 27.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp 65.07 14.08 9.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.88 134.03 55.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.519 HD11 ' OE1' ' A' ' 49' ' ' GLU . 25.6 mm -89.55 115.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.0 tpt -111.14 140.61 45.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.6 OUTLIER -80.67 146.69 30.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 57' ' ' LEU . 7.0 mt -107.65 118.19 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -103.95 166.82 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 41' ' ' ALA . 24.8 m -98.3 129.54 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -33.46 74.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.711 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 6.1 mm-40 -146.81 134.53 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' GLU . 7.5 ptp180 -36.1 153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.641 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.06 167.15 14.82 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 6.1 mtt180 -85.57 130.72 34.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.89 HG21 ' HB2' ' A' ' 45' ' ' TYR . 95.1 t -84.0 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -130.23 161.19 31.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.48 122.13 33.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.0 mm -115.42 -66.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -92.99 146.33 23.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.87 151.89 88.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 120.66 6.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.45 7.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.08 161.18 24.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 74' ' ' VAL . 7.7 p -80.99 98.07 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.78 129.72 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.07 152.31 48.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.13 122.53 14.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.49 56.55 6.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 m -128.96 172.49 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.34 134.22 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 75' ' ' LEU . 48.5 t -118.18 -57.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -149.33 171.48 16.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.659 ' HD3' HG23 ' A' ' 19' ' ' VAL . 5.7 mmt85 -112.43 144.97 40.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.641 HD11 ' HA3' ' A' ' 63' ' ' GLY . 3.2 tm? -96.39 135.32 38.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.446 ' N ' HD13 ' A' ' 84' ' ' LEU . 9.2 tt0 -121.5 92.13 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD23 HD11 ' A' ' 84' ' ' LEU . 23.5 mt -53.25 112.27 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -68.56 -9.67 50.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.43 103.97 0.12 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 48.28 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -171.46 94.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -159.25 111.03 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.2 m -104.85 154.64 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -104.41 153.52 39.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.621 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.59 13.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.59 145.7 12.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.085 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.96 157.61 8.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 83.84 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.4 p -64.03 121.93 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 t 65.88 150.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -125.85 152.51 45.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 110.075 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.99 137.67 51.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.42 -163.4 9.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.28 115.25 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 109.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -171.72 108.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 123.84 0.05 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -123.4 5.77 9.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.64 75.59 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 108.314 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 p -151.19 124.89 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.366 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 41.16 88.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -108.14 95.88 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -142.17 70.9 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -111.86 160.77 17.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.403 1.064 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -151.9 146.14 25.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.57 132.78 0.51 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.75 15.59 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.9 p -67.51 -46.07 73.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.0 p -87.4 117.37 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.29 101.88 5.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 23.6 mtt-85 -92.01 134.49 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -60.14 131.25 89.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.56 9.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.608 1.846 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -163.62 163.42 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 177.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.54 -139.84 6.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.69 100.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' A' ' 75' ' ' LEU . 34.2 tp -42.91 159.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.4 p -132.79 -61.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -178.92 166.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD1' ' CZ ' ' A' ' 67' ' ' TYR . 21.0 m-85 -90.93 162.51 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 46' ' ' ALA . 45.9 p -111.53 -5.25 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.641 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.3 m -117.79 167.1 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.89 179.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.26 127.16 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.56 38.07 34.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.25 129.91 50.26 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.38 114.68 26.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.751 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' CG1' HG11 ' A' ' 33' ' ' VAL . 12.1 m -120.46 169.37 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -104.11 153.66 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -62.22 92.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 109.316 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.49 -22.75 2.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 m -76.65 -175.26 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.082 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.2 p -122.36 134.67 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.868 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.2 p90 -118.38 -10.41 10.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 32' ' ' THR . . . -171.05 -176.59 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -147.31 173.47 12.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.89 163.79 37.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 45.1 tt0 -120.46 113.31 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.05 138.14 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.03 35.84 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt 66.11 14.72 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.8 mtp -121.49 145.34 48.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 6.9 mm -97.86 123.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -119.98 140.93 50.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -80.21 148.76 30.71 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.566 1.166 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.43 116.53 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 0.7 OUTLIER -109.96 166.56 10.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 41' ' ' ALA . 11.8 m -97.61 130.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.4 ' OE1' ' ND2' ' A' ' 58' ' ' ASN . 3.1 mp0 -69.55 -33.82 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -136.94 125.01 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.542 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.08 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.53 ' HA3' HD22 ' A' ' 84' ' ' LEU . . . 165.32 -158.88 31.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -120.22 124.6 46.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.868 HG11 ' CD1' ' A' ' 45' ' ' TYR . 91.0 t -84.54 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.582 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -128.31 161.57 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CZ ' ' CD1' ' A' ' 31' ' ' TYR . 2.9 m-85 -89.74 116.19 27.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -110.0 -68.27 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -89.87 125.8 35.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.69 153.53 4.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 125.65 9.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.22 10.65 10.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.06 165.18 19.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 p -91.5 108.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -69.92 132.89 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -132.28 152.83 51.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.18 139.54 57.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.38 61.59 6.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -134.77 -176.04 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 p -103.92 137.09 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -117.33 -65.49 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -144.87 -179.15 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.67 149.21 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.53 HD22 ' HA3' ' A' ' 63' ' ' GLY . 1.3 mt -126.18 114.85 18.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.16 95.93 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.3 mt -44.28 124.09 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -88.58 -7.69 56.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -139.03 69.8 41.97 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 48.11 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.463 1.77 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 t -158.92 127.98 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.71 87.02 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.542 HG22 ' H ' ' A' ' 93' ' ' HIS . 6.2 p -124.38 172.17 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.542 ' H ' HG22 ' A' ' 92' ' ' VAL . 33.1 p80 -109.56 100.35 41.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 176.21 10.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.72 109.89 8.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.062 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.4 120.64 6.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 163.95 34.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -112.77 171.27 7.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.9 p -138.05 166.99 22.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -147.65 141.91 26.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 0.722 . . . . 0.0 110.074 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -154.87 168.54 26.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -66.59 2.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m 56.27 171.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.75 155.68 26.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.96 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.91 -164.76 8.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -93.32 137.03 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.06 96.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 108.289 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.55 145.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -108.88 154.63 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -175.17 114.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.22 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -157.94 100.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.14 78.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.573 1.171 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 62.4 123.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER 176.93 112.19 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -2.29 12.35 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -79.82 -31.65 40.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.7 p -106.28 105.12 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 45' ' ' TYR . 30.2 mt -73.84 92.16 2.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -91.22 144.6 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.323 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.624 ' HB2' HD13 ' A' ' 75' ' ' LEU . 9.5 t -50.73 106.83 0.69 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.45 160.71 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.42 155.73 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.29 -143.33 7.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.38 113.63 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.232 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' HD23 ' A' ' 75' ' ' LEU . 19.5 tp -56.15 132.86 51.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -109.18 -65.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -174.85 171.55 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -100.35 145.95 27.54 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.41 1.069 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 p -93.08 -15.52 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.595 HG13 ' HA ' ' A' ' 45' ' ' TYR . 5.7 m -108.25 162.99 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 173.6 7.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.92 122.24 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.17 33.44 64.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.418 1.074 . . . . 0.0 111.045 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -58.22 130.51 51.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.407 ' C ' HG13 ' A' ' 39' ' ' VAL . 20.2 t-80 -110.14 131.61 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 109.596 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.407 HG13 ' C ' ' A' ' 38' ' ' HIS . 27.8 m -153.38 -177.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -113.23 152.85 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.656 ' HA ' HG23 ' A' ' 59' ' ' VAL . . . -49.3 110.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.72 -31.69 3.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.61 156.01 36.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 0.784 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p -98.54 132.02 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.93 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.677 ' CD1' HG11 ' A' ' 65' ' ' VAL . 4.4 p90 -114.84 -17.82 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.89 174.75 14.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 56' ' ' THR . 15.0 mt-10 -144.3 -179.0 6.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.93 171.48 12.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.594 ' OE2' HD11 ' A' ' 54' ' ' ILE . 30.8 tt0 -126.18 112.44 15.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 p -131.21 141.0 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.5 mtm 58.59 29.6 18.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.28 22.67 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -130.54 123.5 29.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 54' ' ' ILE . 1.7 mp -76.08 120.44 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ttm -118.22 146.18 44.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' HG2' ' A' ' 47' ' ' GLU . 14.2 m -92.31 151.71 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.64 125.26 51.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -116.77 165.04 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 41' ' ' ALA . 33.4 m -90.41 135.39 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -30.34 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.1 mm-40 -141.53 125.24 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 3.8 ptt180 -36.12 150.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.63 1.206 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.24 -150.18 14.96 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 1.3 mtt180 -127.74 120.0 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 45' ' ' TYR . 48.0 t -87.2 141.12 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 14.7 tttt -139.52 162.08 35.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.86 132.14 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 mt -134.79 -47.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -107.3 123.08 47.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.387 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 146.05 28.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 129.43 12.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.59 -0.34 13.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.08 161.35 22.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p -86.57 129.35 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.624 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.3 OUTLIER -84.4 125.77 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 150.95 41.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 127.64 32.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.31 53.63 6.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.86 174.19 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 p -101.98 150.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 t -129.43 -63.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -140.93 -177.52 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -118.05 146.11 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -112.34 108.23 17.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -91.25 94.01 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -41.69 134.01 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -94.08 32.47 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 t0 172.36 83.14 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.416 1.073 . . . . 0.0 109.222 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.88 10.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -179.75 42.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -78.09 -4.95 49.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.23 -42.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.4 t60 77.49 79.75 0.13 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.579 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -43.71 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.572 1.827 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.0 m -46.55 159.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.97 158.92 7.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.77 168.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.0 112.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 66.5 136.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -176.03 152.48 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.8 109.69 0.26 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -105.9 147.95 28.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 p -178.15 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.4 161.62 5.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -162.62 173.1 14.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 0.743 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.64 161.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 10' ' ' VAL . 6.3 p -171.41 117.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.49 178.22 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -99.77 92.6 5.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -72.0 166.03 23.03 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -72.39 151.72 42.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -139.03 142.92 38.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -130.31 163.32 48.74 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -17.48 19.68 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.3 p -70.71 -46.49 62.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.6 p -90.36 112.26 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.79 90.09 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -80.71 161.18 24.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 11.5 t -80.37 119.34 76.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -15.96 20.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' HE1' ' A' ' 48' ' ' MET . 0.4 OUTLIER -163.22 156.08 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 166.85 3.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.1 -152.74 21.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -148.23 109.12 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.0 tp -51.85 149.78 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 p -130.43 -62.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -173.74 160.69 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -84.29 170.4 13.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 p -120.06 -0.67 10.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.2 m -121.34 160.29 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.91 179.62 7.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.01 129.31 17.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.47 33.91 41.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.31 129.32 48.98 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.41 121.4 37.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.598 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG2' HG11 ' A' ' 59' ' ' VAL . 15.9 m -124.48 171.55 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -111.99 153.65 26.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . . . -56.94 110.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.0 -23.63 6.51 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.2 m -74.52 -179.39 4.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.652 ' HB2' HG22 ' A' ' 56' ' ' THR . 0.9 OUTLIER -122.49 133.48 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.644 ' CD1' HG11 ' A' ' 65' ' ' VAL . 3.6 p90 -120.15 -7.75 9.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.0 176.72 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -139.25 179.82 6.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.465 ' HE1' ' O ' ' A' ' 24' ' ' SER . 15.0 ptm -158.19 144.22 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -97.67 103.62 15.57 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.98 138.51 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mmt 54.26 45.12 27.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 56.57 24.82 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.348 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 144.92 51.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -92.32 115.53 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 ttt -108.19 140.91 40.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.4 OUTLIER -82.84 143.75 30.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mt -110.54 116.19 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.1 p30 -109.18 163.04 13.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' A' ' 39' ' ' VAL . 18.1 m -88.73 135.74 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 1.8 tt0 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 76.2 mm-40 -152.36 132.35 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' GLU . 3.1 ptt180 -36.86 154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.42 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 159.5 -142.6 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -130.82 125.55 33.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 110.354 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.644 HG11 ' CD1' ' A' ' 45' ' ' TYR . 75.5 t -84.43 129.4 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -122.32 160.9 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.192 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.8 t80 -83.74 119.79 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 67' ' ' TYR . 19.1 mm -115.44 -60.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -102.35 148.23 25.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -72.57 149.96 91.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.95 12.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.83 9.43 24.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.8 169.23 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.4 p -91.33 101.75 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -67.82 135.59 52.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.68 152.8 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 129.13 39.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.14 58.58 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.0 175.85 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.38 145.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -124.75 -56.95 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -145.78 177.89 8.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 170.1 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.42 HD11 ' HA3' ' A' ' 63' ' ' GLY . 2.8 tm? -134.52 116.64 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.82 93.8 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 mt -44.17 118.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -102.88 15.46 29.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -164.36 67.93 1.45 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.79 8.1 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 t 41.36 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.069 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.69 75.95 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.236 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -132.82 119.88 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -80.31 154.14 74.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.618 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -58.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.4 p -159.85 166.29 30.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.42 -150.27 14.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.67 43.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 t -111.79 99.15 7.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.27 -58.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -129.2 153.75 47.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.9 166.9 3.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.39 -175.54 17.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -167.93 165.53 13.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 110.031 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m 60.53 151.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.96 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 -60.59 0.61 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 m -44.84 126.24 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -119.84 96.84 5.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 108.237 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -42.86 152.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.79 141.36 51.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.29 150.8 33.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttp 64.3 66.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.79 105.31 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -142.15 -65.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.82 ' O ' HG12 ' A' ' 19' ' ' VAL . 5.8 m-20 51.26 98.39 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.19 9.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -108.53 39.65 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.82 HG12 ' O ' ' A' ' 16' ' ' ASP . 11.6 p -129.36 127.49 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 84' ' ' LEU . 4.1 mt -90.43 86.86 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -81.24 167.46 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -91.42 119.29 68.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.09 18.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.558 1.82 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.3 158.27 26.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.11 168.37 5.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.46 -139.08 5.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -164.89 109.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.81 151.84 7.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 p -133.58 -54.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -169.11 -177.28 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -115.4 168.89 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -116.98 10.2 13.93 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 45' ' ' TYR . 1.5 m -135.73 153.46 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.85 179.76 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -45.16 126.91 6.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.48 37.74 19.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.39 135.15 51.6 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 39' ' ' VAL . 1.6 t-160 -102.21 134.46 45.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.561 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 29.2 m -139.77 -178.41 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -98.63 158.16 15.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.772 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -63.75 106.0 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.52 -32.85 3.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -58.07 161.02 4.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.8 p -93.96 133.13 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.757 ' CD1' HG11 ' A' ' 65' ' ' VAL . 7.7 p90 -114.56 -22.72 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.618 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -156.94 -179.91 8.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -139.6 175.88 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.3 ptm -153.05 161.17 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 25.2 tt0 -120.64 106.28 11.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.54 142.68 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 52.49 36.91 21.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt 67.1 10.14 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 54' ' ' ILE . 2.1 ttm -114.42 147.45 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 53' ' ' MET . 29.4 mm -98.0 126.46 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -120.94 139.44 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.5 147.21 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.66 121.59 44.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -106.4 162.87 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -88.62 136.42 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 1.5 mm100 -64.42 -29.05 70.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 45.2 mt-10 -158.51 131.33 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.772 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -37.13 155.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 152.08 -136.1 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -128.14 128.61 45.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.757 HG11 ' CD1' ' A' ' 45' ' ' TYR . 72.0 t -89.71 131.5 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.735 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -127.45 141.79 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.86 122.91 29.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.91 -51.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -96.23 142.68 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 157.74 42.59 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.35 16.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.34 26.7 11.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.7 176.1 6.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.0 p -94.36 113.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -83.53 123.4 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -126.79 158.95 35.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.36 136.42 58.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.63 56.15 23.75 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.6 m -125.23 172.66 9.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.68 130.72 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -119.36 -58.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.735 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -150.93 -177.88 6.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.552 ' HD3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -128.64 147.74 50.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -103.96 143.2 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.667 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.3 mt-10 -126.06 95.43 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.4 mt -49.2 114.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -94.82 20.65 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -165.99 65.37 0.97 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -21.21 16.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.2 -56.43 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.6 90.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.45 145.2 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.67 153.72 72.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.7 t 56.56 99.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.03 158.11 28.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.629 1.206 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.74 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.4 p -58.56 149.72 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -113.53 -57.76 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.157 . . . . 0.0 110.917 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -153.51 128.04 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 0.809 . . . . 0.0 109.981 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -161.9 169.57 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.4 -123.95 1.02 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.078 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 71.29 141.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.962 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.02 166.08 17.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.055 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.01 -85.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 m 61.31 122.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 0.808 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.576 ' O ' HG22 ' A' ' 10' ' ' VAL . 7.3 t -171.53 131.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 108.36 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 9' ' ' CYS . 12.5 m 45.98 -163.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -161.13 141.96 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -116.1 157.86 24.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -103.09 152.73 21.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.95 108.69 0.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -117.05 160.73 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.735 ' O ' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -165.1 149.91 8.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.74 8.86 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.513 1.797 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 p -101.71 47.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 16' ' ' ASP . 2.4 p -141.09 144.48 26.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.5 87.66 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 24.5 mtt180 -93.34 163.8 13.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 t -84.99 123.72 73.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.2 15.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.53 154.97 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.957 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.0 149.1 50.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 -146.61 5.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -151.06 112.49 4.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.607 0.827 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 21.1 tp -57.94 148.09 26.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.8 p -129.11 -60.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -177.57 161.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -83.53 166.5 18.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -120.28 -0.22 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 45' ' ' TYR . 1.8 m -115.01 163.37 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.93 179.6 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.23 134.86 4.73 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.93 42.02 21.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -63.48 129.24 39.58 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 63' ' ' GLY . 40.2 t-80 -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.56 177.69 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -68.5 92.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.4 -15.7 2.5 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 m -79.95 -174.02 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 56' ' ' THR . 3.4 p -123.24 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.982 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.1 p90 -114.96 -18.22 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.588 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -160.86 -175.84 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.8 178.84 7.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 75' ' ' LEU . 18.0 ptm -161.45 145.66 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.29 104.02 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' MET . 1.5 p -135.35 153.52 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.377 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 53.76 26.24 5.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 73.05 5.98 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.42 ' CG ' ' O ' ' A' ' 50' ' ' VAL . 9.0 ptp -123.37 148.01 46.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.0 mm -84.66 109.03 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.55 139.74 34.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 55' ' ' MET . 0.6 OUTLIER -80.78 148.24 30.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 57' ' ' LEU . 6.3 mt -111.18 121.03 44.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' SER . 44.5 m-20 -105.89 164.79 11.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.1 m -88.18 141.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.371 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.507 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 2.1 mp0 -67.22 -26.78 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 46.9 mt-10 -159.52 135.42 8.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.38 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . 159.45 -142.4 8.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 5.4 mtt180 -131.51 139.01 49.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.982 HG21 ' HB2' ' A' ' 45' ' ' TYR . 70.9 t -89.46 136.45 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 6.0 mmtt -126.64 160.3 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.5 t80 -87.98 114.85 24.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.418 HD13 ' O ' ' A' ' 67' ' ' TYR . 19.2 mm -111.27 -60.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.05 149.74 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.35 147.7 95.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HA ' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.03 125.75 9.51 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.449 1.763 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.05 22.25 6.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.01 169.73 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.606 ' O ' HG13 ' A' ' 74' ' ' VAL . 9.2 p -86.62 103.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -68.16 115.74 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.17 154.51 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 132.0 51.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.95 59.05 10.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 1.7 m -132.2 172.83 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.8 p -97.14 140.45 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.9 t -126.59 -61.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -139.0 178.51 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.388 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 146.29 44.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 85' ' ' GLU . 1.2 tm? -105.82 135.98 46.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' HD13 ' A' ' 84' ' ' LEU . 8.1 tt0 -126.25 94.47 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.4 mt -45.78 143.03 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.49 -8.67 58.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.4 94.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -16.71 20.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 111.059 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -59.71 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.965 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -123.13 -141.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' CG2' ' NH2' ' A' ' 62' ' ' ARG . 2.5 p -173.69 141.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -62.41 117.97 35.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.675 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.98 25.85 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.53 153.02 12.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.74 120.75 0.72 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 125.95 9.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.6 p -123.27 145.85 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.65 -58.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -176.13 166.71 2.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 0.0 110.046 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -149.42 -59.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.989 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.08 152.76 29.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.429 1.081 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -163.01 141.42 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -167.43 158.1 11.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.04 116.25 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -164.62 152.93 12.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.472 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.05 58.31 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 108.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.7 t -101.37 152.54 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.66 147.2 25.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.65 77.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.32 75.05 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -147.34 78.12 1.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 60.0 107.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.4 88.0 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' CG ' ' OE1' ' A' ' 61' ' ' GLU . 18.5 Cg_endo -74.94 54.57 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' LEU . 66.3 p -111.78 -52.8 2.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.362 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.68 112.74 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 HD23 ' A' ' 84' ' ' LEU . 16.4 mt -82.27 88.02 6.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -83.18 151.42 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.433 ' OG ' ' CD1' ' A' ' 75' ' ' LEU . 47.5 t -70.69 124.09 90.3 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -18.4 18.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.9 158.9 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.72 166.16 9.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.57 -137.92 4.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.43 106.5 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.796 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 tp -51.9 150.03 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 30' ' ' GLN . 54.4 p -125.74 -71.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.447 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' OG1' ' A' ' 29' ' ' THR . 12.0 pt20 -168.95 178.34 4.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.08 152.91 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 p -98.52 -6.07 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.437 HG13 ' HA ' ' A' ' 45' ' ' TYR . 2.8 m -118.18 158.54 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -82.63 173.63 11.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.78 119.36 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' ARG . . . 64.16 34.53 90.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -65.97 130.15 32.91 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -91.65 142.98 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.642 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -147.51 178.63 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 10.6 pt-20 -116.25 -168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 62' ' ' ARG . . . -93.05 99.76 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.68 -10.44 3.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -90.26 -175.33 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.567 ' HB2' HG22 ' A' ' 56' ' ' THR . 59.5 p -126.94 131.21 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.962 ' CB ' HG21 ' A' ' 65' ' ' VAL . 2.0 p90 -109.77 -17.77 13.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HB3' ' CE1' ' A' ' 45' ' ' TYR . . . -158.42 174.72 14.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -139.05 -179.64 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 ptm -156.6 167.67 29.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.9 tt0 -129.24 99.52 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.5 p -124.36 139.63 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.33 29.35 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 70.33 9.42 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.3 mtt -115.52 133.7 55.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 25.7 mm -83.66 123.0 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' THR . 6.7 tpt -118.96 140.37 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.5 OUTLIER -84.02 150.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -114.12 108.23 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.384 1.052 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -100.83 169.73 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 40' ' ' GLU . 32.5 m -102.8 145.7 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -76.38 -22.86 54.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' OE1' ' CG ' ' A' ' 17' ' ' PRO . 45.7 mt-10 -152.87 136.39 15.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' GLU . 2.3 mtp180 -37.48 157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.75 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 150.84 164.28 11.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 36' ' ' GLY . 4.5 ttp180 -84.84 136.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.962 HG21 ' CB ' ' A' ' 45' ' ' TYR . 53.1 t -89.57 139.62 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 16.1 tttt -127.56 161.49 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.28 127.07 36.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.574 HG22 ' HG2' ' A' ' 69' ' ' LYS . 29.7 mm -116.14 -58.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG2' HG22 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -108.77 139.7 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.96 145.85 16.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.41 5.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 122.12 1.0 10.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.6 171.23 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 74' ' ' VAL . 8.2 p -86.56 113.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.69 121.28 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.98 154.49 35.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.0 132.22 51.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.42 57.93 15.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -132.85 170.96 14.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -94.92 137.48 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.09 -55.93 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -148.91 177.13 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -115.26 159.85 20.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.75 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.4 tm? -124.36 126.47 46.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.584 ' N ' HD13 ' A' ' 84' ' ' LEU . 1.3 tp10 -109.03 93.56 4.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.0 mt -42.56 119.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.04 -9.01 59.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -145.8 88.94 6.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.46 20.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.582 1.833 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 t 61.93 141.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 110.017 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 42.4 84.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 92' ' ' VAL . 78.3 t -114.03 72.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 93' ' ' HIS . 2.2 p-80 -173.28 89.51 0.38 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.627 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 148.21 34.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.76 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.06 165.89 11.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.44 133.31 10.84 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.18 11.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 123.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -88.03 137.66 32.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.422 1.076 . . . . 0.0 110.985 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 p -171.67 -58.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.24 154.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.53 -149.33 5.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.98 167.19 31.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 0.803 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -133.78 135.58 43.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.91 124.78 25.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 9' ' ' CYS . 45.7 m -73.15 171.59 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.51 ' N ' HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER -66.09 116.43 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.31 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.1 m -146.32 173.71 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -65.81 159.16 25.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.87 86.32 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.39 176.26 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.6 70.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -126.49 -67.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.68 106.77 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.24 13.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 83' ' ' ARG . 68.1 p -107.91 51.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 19' ' ' VAL . 4.2 p -135.61 110.15 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -84.76 94.91 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -92.88 159.45 15.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 34.1 t -82.88 119.5 74.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -12.78 21.41 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.41 1.742 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 146.9 4.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.06 162.09 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.44 -139.34 5.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HE3' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -155.9 119.78 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.265 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 75' ' ' LEU . 16.3 tp -63.8 154.8 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 p -136.07 -69.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -162.67 -175.91 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -111.21 172.22 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -120.19 6.48 10.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' HA ' ' A' ' 45' ' ' TYR . 3.0 m -123.41 167.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.66 179.91 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.41 131.7 3.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' O ' ' NE ' ' A' ' 64' ' ' ARG . . . 43.95 40.11 5.37 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' ARG . . . -61.45 141.6 47.94 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -110.39 140.05 44.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.635 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.96 172.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -103.38 158.08 16.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.243 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.479 ' HB2' ' H ' ' A' ' 62' ' ' ARG . . . -64.74 93.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.99 -20.28 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.565 1.166 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 15.0 t -78.68 -177.14 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 0.0 109.966 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.476 ' HB2' HG22 ' A' ' 56' ' ' THR . 27.2 p -119.11 133.33 55.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.853 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.2 p90 -118.12 -8.49 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -169.21 -176.57 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -142.76 -179.53 6.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.98 150.22 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 36.1 tt0 -107.92 112.05 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 p -131.52 140.35 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.32 37.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.35 24.11 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.5 139.57 52.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 40.8 mm -92.78 116.12 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 mtp -115.71 139.44 50.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.132 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 44' ' ' SER . 0.6 OUTLIER -81.31 145.54 30.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.47 131.12 54.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 43' ' ' SER . 5.2 p30 -116.1 166.06 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -88.97 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -71.38 -26.04 62.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' ARG . 35.7 mt-10 -155.72 129.35 8.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.479 ' H ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -36.47 148.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.646 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . 160.69 -141.45 7.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 36' ' ' GLY . 7.2 mtt180 -129.89 131.52 46.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.853 HG21 ' CB ' ' A' ' 45' ' ' TYR . 70.6 t -83.96 143.58 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.668 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 2.1 tttt -134.5 161.98 33.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.13 126.35 35.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.4 mm -121.12 -70.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -90.1 133.71 34.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -53.56 148.39 18.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.576 1.83 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.92 6.02 23.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.62 176.84 8.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 0.733 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 74' ' ' VAL . 1.3 p -97.18 114.03 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -74.62 111.6 9.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.47 149.34 26.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.168 . . . . 0.0 110.329 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.04 111.39 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.7 51.13 2.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.24 -171.98 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -106.23 146.87 12.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.1 t -123.64 -64.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.668 ' HB1' ' O ' ' A' ' 66' ' ' LYS . . . -142.39 -176.82 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.458 ' CD ' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -120.86 143.59 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' HA3' ' A' ' 63' ' ' GLY . 1.0 OUTLIER -100.68 133.78 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.512 ' N ' HD13 ' A' ' 84' ' ' LEU . 14.2 tt0 -121.56 100.01 6.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.7 mt -67.05 109.81 3.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -79.71 -4.59 52.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.28 101.1 1.39 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.15 3.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -110.71 104.55 13.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 110.056 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -122.03 90.13 3.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 m -86.06 164.36 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 4.6 m80 -129.9 130.86 23.2 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.582 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 93' ' ' HIS . 18.2 Cg_endo -74.95 130.36 13.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.69 148.12 25.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 97' ' ' PRO . . . -73.18 -104.01 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' A' ' 96' ' ' GLY . 18.3 Cg_endo -75.01 65.03 6.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.81 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.03 145.63 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.6 -58.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.046 179.99 . . . . . . . . 0 0 . 1 stop_ save_